4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide

C20H32N2O3S — CID 110351459

IUPAC4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1
InChIInChI=1S/C20H32N2O3S/c1-15(2)14-18(19(23)22-12-6-7-13-22)21-26(24,25)17-10-8-16(9-11-17)20(3,4)5/h8-11,15,18,21H,6-7,12-14H2,1-5H3/t18-/m0/s1
InChIKeyZBJNPSNAVFRNLF-SFHVURJKSA-N
MW380.55 g/mol
LogP3.30
Rot. Bonds6

About 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide

4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide (PubChem CID 110351459) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
PubChem CID110351459
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1
InChIInChI=1S/C20H32N2O3S/c1-15(2)14-18(19(23)22-12-6-7-13-22)21-26(24,25)17-10-8-16(9-11-17)20(3,4)5/h8-11,15,18,21H,6-7,12-14H2,1-5H3/t18-/m0/s1
InChIKeyZBJNPSNAVFRNLF-SFHVURJKSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351682
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 155168701
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725
1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
CID 110351456
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
CID 110285631
4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 119490221
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
N,N-dimethyl-2-[4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642077
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351436

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide (CID 110351459) is 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide is CC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1.
What is the InChIKey of 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
The InChIKey is ZBJNPSNAVFRNLF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-15(2)14-18(19(23)22-12-6-7-13-22)21-26(24,25)17-10-8-16(9-11-17)20(3,4)5/h8-11,15,18,21H,6-7,12-14H2,1-5H3/t18-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide has a molecular weight of 380.55 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110351459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).