3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide

C21H26N2O3S — CID 92682941

IUPAC3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C21H26N2O3S/c1-16-15-19(12-13-20(16)23-14-6-9-21(23)24)27(25,26)22-17(2)10-11-18-7-4-3-5-8-18/h3-5,7-8,12-13,15,17,22H,6,9-11,14H2,1-2H3/t17-/m1/s1
InChIKeyVDPUBKCMURWMCE-QGZVFWFLSA-N
MW386.52 g/mol
LogP3.42
Rot. Bonds7

About 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide

3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide (PubChem CID 92682941) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
PubChem CID92682941
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C21H26N2O3S/c1-16-15-19(12-13-20(16)23-14-6-9-21(23)24)27(25,26)22-17(2)10-11-18-7-4-3-5-8-18/h3-5,7-8,12-13,15,17,22H,6,9-11,14H2,1-2H3/t17-/m1/s1
InChIKeyVDPUBKCMURWMCE-QGZVFWFLSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 94027782
N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 133145245
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 53284182
3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46773064
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133165605
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92681306
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99131234
1-[4-(4-benzylpiperidin-1-yl)sulfonyl-2-methylphenyl]pyrrolidin-2-one
CID 99954773
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133164761
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide (CID 92682941) is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)ccc1N1CCCC1=O.
What is the InChIKey of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The InChIKey is VDPUBKCMURWMCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-15-19(12-13-20(16)23-14-6-9-21(23)24)27(25,26)22-17(2)10-11-18-7-4-3-5-8-18/h3-5,7-8,12-13,15,17,22H,6,9-11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.42, 7 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-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 92682941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).