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CAS 1869118-24-0
Also known as: 1869118-24-0, N-[5-[(4-methylphenyl)sulfonyl]-5h-pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid ethyl ester, Carbamic acid, n-[5-[(4-methylphenyl)sulfonyl]-5h-pyrrolo[2,3-b]pyrazin-2-yl]-, ethyl ester, Ethyl n-(5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl)carbamate, Ethyl n-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]carbamate, Schembl18740449
Molecular Formula
C16H16N4O4S
Molecular Weight
360.4  g/mol
InChI Key
NROPCWMCOWTXAZ-UHFFFAOYSA-N

1 2D Structure

CAS 1869118-24-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl N-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]carbamate
2.1.2 InChI
InChI=1S/C16H16N4O4S/c1-3-24-16(21)19-14-10-17-15-13(18-14)8-9-20(15)25(22,23)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,19,21)
2.1.3 InChI Key
NROPCWMCOWTXAZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)NC1=CN=C2C(=N1)C=CN2S(=O)(=O)C3=CC=C(C=C3)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1869118-24-0

2. N-[5-[(4-methylphenyl)sulfonyl]-5h-pyrrolo[2,3-b]pyrazin-2-yl]carbamic Acid Ethyl Ester

3. Carbamic Acid, N-[5-[(4-methylphenyl)sulfonyl]-5h-pyrrolo[2,3-b]pyrazin-2-yl]-, Ethyl Ester

4. Ethyl N-(5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl)carbamate

5. Ethyl N-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]carbamate

6. Schembl18740449

7. Dtxsid501121094

8. Amy16525

9. Ac-31349

10. Ethyl N-[5-(4-methylbenzenesulfonyl)-5h-pyrrolo[2,3-b]pyrazin-2-yl]carbamate

11. Ethyln-[5-(4-methylbenzenesulfonyl)-5h-pyrrolo[2,3-b]pyrazin-2-yl]carbamate

2.3 Create Date
2017-08-04
3 Chemical and Physical Properties
Molecular Weight 360.4 g/mol
Molecular Formula C16H16N4O4S
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass360.08922618 g/mol
Monoisotopic Mass360.08922618 g/mol
Topological Polar Surface Area112 Ų
Heavy Atom Count25
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
1428243-26-8
Upadacitinib
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.
Flag China
Digital Content Digital Content
1428243-28-0
Upadacitinib
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.
Flag China
Digital Content Digital Content
1201187-44-1
Upadacitinib
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.
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