(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide

C17H23FN2O3S — CID 118877225

IUPAC(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCN(S(=O)(=O)C3CCCC3)C2)ccc1F
InChIInChI=1S/C17H23FN2O3S/c1-12-10-14(6-7-16(12)18)19-17(21)13-8-9-20(11-13)24(22,23)15-4-2-3-5-15/h6-7,10,13,15H,2-5,8-9,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyACEYYLSHQJYBFM-ZDUSSCGKSA-N
MW354.45 g/mol
LogP2.67
Rot. Bonds4

About (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide

(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 118877225) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID118877225
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCN(S(=O)(=O)C3CCCC3)C2)ccc1F
InChIInChI=1S/C17H23FN2O3S/c1-12-10-14(6-7-16(12)18)19-17(21)13-8-9-20(11-13)24(22,23)15-4-2-3-5-15/h6-7,10,13,15H,2-5,8-9,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyACEYYLSHQJYBFM-ZDUSSCGKSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxycyclohexyl)sulfonylpyrrolidine-3-carboxamide
CID 86301719
N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide
CID 140703463
1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
CID 90513450
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 126395837
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
1-[2-[[(2R)-butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
CID 122535382
(3S)-N-(4-fluoro-3-methylphenyl)-1-[2-[[(E)-1-hydroxyprop-1-en-2-yl]amino]-2-oxoacetyl]pyrrolidine-3-carboxamide
CID 129208964
methyl 4-[3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1-(2-oxopropyl)pyrrole-3-carboxylate
CID 175459297

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide (CID 118877225) is (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCN(S(=O)(=O)C3CCCC3)C2)ccc1F.
What is the InChIKey of (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ACEYYLSHQJYBFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-12-10-14(6-7-16(12)18)19-17(21)13-8-9-20(11-13)24(22,23)15-4-2-3-5-15/h6-7,10,13,15H,2-5,8-9,11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118877225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).