(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C21H25N3O4S — CID 92729981

IUPAC(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15(2)22-20(25)19-9-6-14-24(19)21(26)16-10-12-17(13-11-16)23-29(27,28)18-7-4-3-5-8-18/h3-5,7-8,10-13,15,19,23H,6,9,14H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyLCOSLWPXYMXIMZ-LJQANCHMSA-N
MW415.52 g/mol
LogP2.62
Rot. Bonds6

About (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 92729981) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID92729981
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15(2)22-20(25)19-9-6-14-24(19)21(26)16-10-12-17(13-11-16)23-29(27,28)18-7-4-3-5-8-18/h3-5,7-8,10-13,15,19,23H,6,9,14H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyLCOSLWPXYMXIMZ-LJQANCHMSA-N
XLogP2.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 50815951
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331
N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830865
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830965
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50831023
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 92729981) is (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is LCOSLWPXYMXIMZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15(2)22-20(25)19-9-6-14-24(19)21(26)16-10-12-17(13-11-16)23-29(27,28)18-7-4-3-5-8-18/h3-5,7-8,10-13,15,19,23H,6,9,14H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92729981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).