1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C26H27N3O4S — CID 50815971

IUPAC1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H27N3O4S/c30-25(27-17-16-20-9-3-1-4-10-20)24-15-8-18-29(24)26(31)21-11-7-12-22(19-21)28-34(32,33)23-13-5-2-6-14-23/h1-7,9-14,19,24,28H,8,15-18H2,(H,27,30)
InChIKeyXHBYRNWXJYJHEP-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.45
Rot. Bonds8

About 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide

1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 50815971) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID50815971
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H27N3O4S/c30-25(27-17-16-20-9-3-1-4-10-20)24-15-8-18-29(24)26(31)21-11-7-12-22(19-21)28-34(32,33)23-13-5-2-6-14-23/h1-7,9-14,19,24,28H,8,15-18H2,(H,27,30)
InChIKeyXHBYRNWXJYJHEP-UHFFFAOYSA-N
XLogP3.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-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

(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815932
(2R)-1-[3-(3-cyanoazetidin-1-yl)sulfonylbenzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 175571166
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373
(2R)-N-butyl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728376
1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50816015
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50816049
1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 50815951
(2S)-1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365208

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 50815971) is 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide is O=C(NCCc1ccccc1)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is XHBYRNWXJYJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c30-25(27-17-16-20-9-3-1-4-10-20)24-15-8-18-29(24)26(31)21-11-7-12-22(19-21)28-34(32,33)23-13-5-2-6-14-23/h1-7,9-14,19,24,28H,8,15-18H2,(H,27,30).
What are the key properties of 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50815971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).