2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide

C20H22N2O3S — CID 16673933

IUPAC2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide
SMILESCc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3S/c1-15-9-10-17(22-13-5-8-19(22)23)14-18(15)26(24,25)21-20(11-12-20)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,21H,5,8,11-13H2,1H3
InChIKeyZTMVGGFPPRRWHE-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide

2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide (PubChem CID 16673933) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide
PubChem CID16673933
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide
SMILESCc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3S/c1-15-9-10-17(22-13-5-8-19(22)23)14-18(15)26(24,25)21-20(11-12-20)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,21H,5,8,11-13H2,1H3
InChIKeyZTMVGGFPPRRWHE-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16676310
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137630
N-(2-methoxy-3-pyridinyl)-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46966844
N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide
CID 25300845
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635945
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541173
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 75443856
N-(2-ethoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86848405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide (CID 16673933) is 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide is Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide?
The InChIKey is ZTMVGGFPPRRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-9-10-17(22-13-5-8-19(22)23)14-18(15)26(24,25)21-20(11-12-20)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,21H,5,8,11-13H2,1H3.
What are the key properties of 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide?
2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 16673933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).