(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide

C18H20N2O3S — CID 131711845

IUPAC(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)[C@@H]2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-9-11-16(12-10-14)24(22,23)20(15-6-3-2-4-7-15)18(21)17-8-5-13-19-17/h2-4,6-7,9-12,17,19H,5,8,13H2,1H3/t17-/m0/s1
InChIKeyYZYNOENTEGNFKT-KRWDZBQOSA-N
MW344.44 g/mol
LogP2.47
Rot. Bonds4

About (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide

(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 131711845) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID131711845
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)[C@@H]2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-9-11-16(12-10-14)24(22,23)20(15-6-3-2-4-7-15)18(21)17-8-5-13-19-17/h2-4,6-7,9-12,17,19H,5,8,13H2,1H3/t17-/m0/s1
InChIKeyYZYNOENTEGNFKT-KRWDZBQOSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
CID 19210513
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
4-methylbenzenesulfonic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 87577597
(4-methylphenyl)sulfonyl-[(2S)-pyrrolidin-2-yl]methanone
CID 175701962
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
CID 19210572
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628577

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide (CID 131711845) is (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N(C(=O)[C@@H]2CCCN2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is YZYNOENTEGNFKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-9-11-16(12-10-14)24(22,23)20(15-6-3-2-4-7-15)18(21)17-8-5-13-19-17/h2-4,6-7,9-12,17,19H,5,8,13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 131711845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).