4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide

C24H23NO4S — CID 16804021

IUPAC4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCS(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H23NO4S/c1-18-14-15-22(21(17-18)24(27)19-9-4-2-5-10-19)25-23(26)13-8-16-30(28,29)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16H2,1H3,(H,25,26)
InChIKeyPCGHFHSTYGBUQQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.42
Rot. Bonds8

About 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide

4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide (PubChem CID 16804021) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
PubChem CID16804021
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCS(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H23NO4S/c1-18-14-15-22(21(17-18)24(27)19-9-4-2-5-10-19)25-23(26)13-8-16-30(28,29)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16H2,1H3,(H,25,26)
InChIKeyPCGHFHSTYGBUQQ-UHFFFAOYSA-N
XLogP4.42
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
CID 7295227
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
CID 41273162
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide
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CID 86807944

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide (CID 16804021) is 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide is Cc1ccc(NC(=O)CCCS(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide?
The InChIKey is PCGHFHSTYGBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-18-14-15-22(21(17-18)24(27)19-9-4-2-5-10-19)25-23(26)13-8-16-30(28,29)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16H2,1H3,(H,25,26).
What are the key properties of 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide?
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide has a molecular weight of 421.52 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide is sourced from PubChem (CID 16804021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).