3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide

C17H19NO3S — CID 17310093

IUPAC3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H19NO3S/c1-13-8-9-16(14(2)12-13)18-17(19)10-11-22(20,21)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeySBHJBWBVRGEKDJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.11
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide

3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 17310093) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID17310093
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H19NO3S/c1-13-8-9-16(14(2)12-13)18-17(19)10-11-22(20,21)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeySBHJBWBVRGEKDJ-UHFFFAOYSA-N
XLogP3.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586245
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide (CID 17310093) is 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is SBHJBWBVRGEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-8-9-16(14(2)12-13)18-17(19)10-11-22(20,21)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide?
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 17310093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).