2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide

C17H19NO3S — CID 10245288

IUPAC2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)CC(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)12-14(2)17(19)18-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChIKeyCQGRIKXLIFCQLF-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.04
Rot. Bonds5

About 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide

2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide (PubChem CID 10245288) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide
PubChem CID10245288
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)CC(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)12-14(2)17(19)18-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChIKeyCQGRIKXLIFCQLF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
(2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylmethyl]-1-phenylbutan-1-one
CID 100989865
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide
CID 155510283
4-anilino-3-methyl-4-oxobutanoic acid;ethane
CID 90916369
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
2-methyl-N-phenylpentanamide
CID 4627801
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
The IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide (CID 10245288) is 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide is Cc1ccc(S(=O)(=O)CC(C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
The InChIKey is CQGRIKXLIFCQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)12-14(2)17(19)18-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide is sourced from PubChem (CID 10245288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).