CAS 68524-30-1

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Chemistry

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Also known as: 68524-30-1, 2-benzhydrylsulfanylacetamide, Diphenylmethyl thioacetamide, 2-(benzhydrylthio)acetamide, Acetamide, 2-[(diphenylmethyl)thio]-, [(diphenylmethyl)thio]acetamide

Molecular Formula

C₁₅H₁₅NOS

Molecular Weight

257.4 g/mol

InChI Key

HCRQRIFRHGPWBH-UHFFFAOYSA-N

FDA UNII

PXK33GE36F

1 2D Structure

CAS 68524-30-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-benzhydrylsulfanylacetamide

2.1.2 InChI

InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)

2.1.3 InChI Key

HCRQRIFRHGPWBH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)N

2.2 Other Identifiers

2.2.1 UNII

PXK33GE36F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 68524-30-1

2. 2-benzhydrylsulfanylacetamide

3. Diphenylmethyl Thioacetamide

4. 2-(benzhydrylthio)acetamide

5. Acetamide, 2-[(diphenylmethyl)thio]-

6. [(diphenylmethyl)thio]acetamide

7. Benzyldryl Thioacetamide

8. Deoxy Modafinil

9. Diphenylmethylthioacetamide

10. Pxk33ge36f

11. 2-((diphenylmethyl)thio)acetamide

12. Acetamide, 2-((diphenylmethyl)thio)-

13. Ph2chsch2conh2

14. Unii-pxk33ge36f

15. 2-(benzhydrylthiyl)acetamide

16. Modafinil Related Compound C

17. 2-(benzhydrylthiyl) Acetamide

18. Schembl1537233

19. Zinc9766

20. Chembl3126748

21. Us9862679, Compound 2a

22. Dtxsid60433431

23. Bdbm364374

24. 2-(diphenylmethyl)sulfanylethanamide

25. 2-[(diphenylemthyl)thio] Acetamide

26. Amy31583

27. Mfcd00876107

28. 2-[(diphenylmethyl)sulfenyl]acetamide

29. Akos015888234

30. Ac-6204

31. As-47650

32. Db-005040

33. Ft-0601302

34. F14900

35. 524d301

36. A836172

37. Q-200221

38. Modafinil Related Compound C, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₅NOS
Molecular Weight	257.4 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	257.08743528 g/mol
Monoisotopic Mass	257.08743528 g/mol
Topological Polar Surface Area	68.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1