N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide

C19H21NO4S — CID 41273496

IUPACN-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCC(=O)c1ccc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO4S/c1-14-5-11-18(12-6-14)25(23,24)13-3-4-19(22)20-17-9-7-16(8-10-17)15(2)21/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyGQLPXIMRILAHCN-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.39
Rot. Bonds7

About N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide

N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 41273496) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID41273496
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCC(=O)c1ccc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO4S/c1-14-5-11-18(12-6-14)25(23,24)13-3-4-19(22)20-17-9-7-16(8-10-17)15(2)21/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyGQLPXIMRILAHCN-UHFFFAOYSA-N
XLogP3.39
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
butyl 4-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 2612880
N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585815
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N-(3-cyanothiophen-2-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585830
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315
1-methyl-4-(4-sulfonatosulfanylbutanoylamino)benzene
CID 3564180
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide (CID 41273496) is N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide is CC(=O)c1ccc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is GQLPXIMRILAHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-14-5-11-18(12-6-14)25(23,24)13-3-4-19(22)20-17-9-7-16(8-10-17)15(2)21/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 359.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 41273496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).