3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide

C19H22N2O3S — CID 133145245

IUPAC3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H22N2O3S/c1-14-13-17(10-11-18(14)21-12-6-9-19(21)22)25(23,24)20-15(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,20H,6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyATXJJJPVFRDHFS-HNNXBMFYSA-N
MW358.46 g/mol
LogP3.16
Rot. Bonds5

About 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide

3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 133145245) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID133145245
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H22N2O3S/c1-14-13-17(10-11-18(14)21-12-6-9-19(21)22)25(23,24)20-15(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,20H,6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyATXJJJPVFRDHFS-HNNXBMFYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133165605
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92681306
N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133230386
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99131234
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 92682941
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 53284182
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 94027782
3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46773064
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133186638
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 133145245) is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1N1CCCC1=O.
What is the InChIKey of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is ATXJJJPVFRDHFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-13-17(10-11-18(14)21-12-6-9-19(21)22)25(23,24)20-15(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,20H,6,9,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 133145245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).