(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

C24H31N3O4S — CID 92728260

IUPAC(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C24H31N3O4S/c1-5-18(4)25-23(28)21-10-7-13-27(21)24(29)19-8-6-9-20(15-19)26-32(30,31)22-14-16(2)11-12-17(22)3/h6,8-9,11-12,14-15,18,21,26H,5,7,10,13H2,1-4H3,(H,25,28)/t18-,21+/m0/s1
InChIKeyQNLSVVNEXVUGQP-GHTZIAJQSA-N
MW457.60 g/mol
LogP3.62
Rot. Bonds7

About (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 92728260) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID92728260
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C24H31N3O4S/c1-5-18(4)25-23(28)21-10-7-13-27(21)24(29)19-8-6-9-20(15-19)26-32(30,31)22-14-16(2)11-12-17(22)3/h6,8-9,11-12,14-15,18,21,26H,5,7,10,13H2,1-4H3,(H,25,28)/t18-,21+/m0/s1
InChIKeyQNLSVVNEXVUGQP-GHTZIAJQSA-N
XLogP3.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50816110
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50816015
(2S)-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 92895046
(2R)-N-butyl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728376
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
4-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]thiomorpholine-3-carboxamide
CID 171822702
4-chloro-N-[3-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 174347208
1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 50815951
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (CID 92728260) is (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is QNLSVVNEXVUGQP-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-5-18(4)25-23(28)21-10-7-13-27(21)24(29)19-8-6-9-20(15-19)26-32(30,31)22-14-16(2)11-12-17(22)3/h6,8-9,11-12,14-15,18,21,26H,5,7,10,13H2,1-4H3,(H,25,28)/t18-,21+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92728260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).