4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide

C19H22N2O3S — CID 30386601

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-2-18(15-7-4-3-5-8-15)20-25(23,24)17-12-10-16(11-13-17)21-14-6-9-19(21)22/h3-5,7-8,10-13,18,20H,2,6,9,14H2,1H3/t18-/m0/s1
InChIKeyVWEVAMNFMICVQA-SFHVURJKSA-N
MW358.46 g/mol
LogP3.24
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide (PubChem CID 30386601) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
PubChem CID30386601
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-2-18(15-7-4-3-5-8-15)20-25(23,24)17-12-10-16(11-13-17)21-14-6-9-19(21)22/h3-5,7-8,10-13,18,20H,2,6,9,14H2,1H3/t18-/m0/s1
InChIKeyVWEVAMNFMICVQA-SFHVURJKSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 24511066
(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid
CID 2231639
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92684806
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide (CID 30386601) is 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide is CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The InChIKey is VWEVAMNFMICVQA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-18(15-7-4-3-5-8-15)20-25(23,24)17-12-10-16(11-13-17)21-14-6-9-19(21)22/h3-5,7-8,10-13,18,20H,2,6,9,14H2,1H3/t18-/m0/s1.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 30386601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).