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    CAS 68524-30-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 257.4 g/mol
    Molecular Formula C15H15NOS
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass257.08743528 g/mol
    Monoisotopic Mass257.08743528 g/mol
    Topological Polar Surface Area68.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity239
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1