3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide

C22H21NO3S — CID 26727449

IUPAC3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-11-13-19(14-12-17)27(25,26)16-15-22(24)23-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyWIBXQRMUOZRMNY-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.46
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide

3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide (PubChem CID 26727449) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
PubChem CID26727449
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-11-13-19(14-12-17)27(25,26)16-15-22(24)23-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyWIBXQRMUOZRMNY-UHFFFAOYSA-N
XLogP4.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55340437
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 25161687
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
CID 18585805
2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5-phenylthiophene-3-carboxamide
CID 16857906

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide (CID 26727449) is 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
The InChIKey is WIBXQRMUOZRMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-11-13-19(14-12-17)27(25,26)16-15-22(24)23-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide has a molecular weight of 379.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 26727449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).