2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

C19H22N2O3S — CID 90585786

IUPAC2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-11-16(12-10-15)20-19(22)21-13-5-6-17(21)14-25(23,24)18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyGZQIBVZWFQEXSX-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.47
Rot. Bonds4

About 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 90585786) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID90585786
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-11-16(12-10-15)20-19(22)21-13-5-6-17(21)14-25(23,24)18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyGZQIBVZWFQEXSX-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonylmethyl)-N-(4-tert-butylphenyl)pyrrolidine-1-carboxamide
CID 71805911
2-[(4-methylphenyl)sulfonylmethyl]pyrrolidine-1-carboxylic acid
CID 175772161
2-(benzenesulfonylmethyl)-N-(2-chlorophenyl)pyrrolidine-1-carboxamide
CID 90585795
2-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805912
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 90585577
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2R)-2-(benzenesulfonylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 97415022
2-benzyl-N-[4-(cyanomethylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 119035124
(2S)-2-benzyl-N-[4-(cyanomethylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 100696892
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 90585651
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 97291407

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 90585786) is 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is GZQIBVZWFQEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-9-11-16(12-10-15)20-19(22)21-13-5-6-17(21)14-25(23,24)18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,20,22).
What are the key properties of 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 90585786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).