2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone

C17H19NO3S — CID 59806297

IUPAC2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone
SMILESCc1ccc(S(=O)(=O)C(C)NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)14(2)18-12-17(19)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3
InChIKeyVKTZUGGDGFUAPF-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.59
Rot. Bonds6

About 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone

2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone (PubChem CID 59806297) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone
PubChem CID59806297
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone
SMILESCc1ccc(S(=O)(=O)C(C)NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)14(2)18-12-17(19)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3
InChIKeyVKTZUGGDGFUAPF-UHFFFAOYSA-N
XLogP2.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
benzyl N-[(1S)-1-(4-methylphenyl)sulfonylethyl]carbamate
CID 1472747
2-(4-methylanilino)-1-phenylethanone
CID 4230722
3-methyl-2-(phenacylamino)butanoate
CID 22284120
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
(2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylmethyl]-1-phenylbutan-1-one
CID 100989865
N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 102527600
(3S)-3-(benzenesulfonyl)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 1368123
3-(4-methylphenyl)sulfonylbutanoic acid
CID 15758469
2,2-dimethyl-N-phenacylpropane-1-sulfonamide
CID 64994451
1-(4-ethylsulfonylphenyl)-2-(propan-2-ylamino)ethanone
CID 98033361
2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone
CID 98033362

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone (CID 59806297) is 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone is Cc1ccc(S(=O)(=O)C(C)NCC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone?
The InChIKey is VKTZUGGDGFUAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)14(2)18-12-17(19)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone?
2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone has a molecular weight of 317.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone is sourced from PubChem (CID 59806297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).