2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide

C20H24N2O3S — CID 56541173

IUPAC2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C20H24N2O3S/c1-15(2)22(17-8-5-4-6-9-17)26(24,25)19-12-11-18(14-16(19)3)21-13-7-10-20(21)23/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3
InChIKeyATCOCSZYAFRFIO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.73
Rot. Bonds5

About 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide

2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 56541173) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide
PubChem CID56541173
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C20H24N2O3S/c1-15(2)22(17-8-5-4-6-9-17)26(24,25)19-12-11-18(14-16(19)3)21-13-7-10-20(21)23/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3
InChIKeyATCOCSZYAFRFIO-UHFFFAOYSA-N
XLogP3.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-2-yl 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769070
N,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47081395
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
N-(2-ethoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86848405
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51126451
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 75443856
2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 16673933
(4-acetamidophenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769081
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonate
CID 58755397
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide (CID 56541173) is 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ATCOCSZYAFRFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(2)22(17-8-5-4-6-9-17)26(24,25)19-12-11-18(14-16(19)3)21-13-7-10-20(21)23/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3.
What are the key properties of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide?
2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 56541173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).