2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

C17H24N2O3S — CID 71939005

IUPAC2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CCCC2C2CCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-23(21,22)15-10-8-14(9-11-15)18-17(20)19-12-4-7-16(19)13-5-2-3-6-13/h8-11,13,16H,2-7,12H2,1H3,(H,18,20)
InChIKeyLAUMONKVSQSFGZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.28
Rot. Bonds3

About 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (PubChem CID 71939005) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
PubChem CID71939005
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CCCC2C2CCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-23(21,22)15-10-8-14(9-11-15)18-17(20)19-12-4-7-16(19)13-5-2-3-6-13/h8-11,13,16H,2-7,12H2,1H3,(H,18,20)
InChIKeyLAUMONKVSQSFGZ-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-4-methylsulfonylbenzamide
CID 11553986
(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
CID 118772011
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
CID 87035057
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 87035128
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481
2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 87035105
N-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-4-sulfamoylbenzamide
CID 11539479

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (CID 71939005) is 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is CS(=O)(=O)c1ccc(NC(=O)N2CCCC2C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is LAUMONKVSQSFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-23(21,22)15-10-8-14(9-11-15)18-17(20)19-12-4-7-16(19)13-5-2-3-6-13/h8-11,13,16H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71939005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).