(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide

C18H21N3O3S — CID 45112179

IUPAC(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-8-10-14(11-9-13)25(23,24)21-16-6-3-2-5-15(16)20-18(22)17-7-4-12-19-17/h2-3,5-6,8-11,17,19,21H,4,7,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyZEQWWBWPOADEOW-KRWDZBQOSA-N
MW359.45 g/mol
LogP2.49
Rot. Bonds5

About (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide

(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide (PubChem CID 45112179) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
PubChem CID45112179
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-8-10-14(11-9-13)25(23,24)21-16-6-3-2-5-15(16)20-18(22)17-7-4-12-19-17/h2-3,5-6,8-11,17,19,21H,4,7,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyZEQWWBWPOADEOW-KRWDZBQOSA-N
XLogP2.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 75294143
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
CID 169370677
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2R)-N-[2-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 104901084
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide (CID 45112179) is (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ZEQWWBWPOADEOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-8-10-14(11-9-13)25(23,24)21-16-6-3-2-5-15(16)20-18(22)17-7-4-12-19-17/h2-3,5-6,8-11,17,19,21H,4,7,12H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45112179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).