(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H29N3O4S — CID 26084910

IUPAC(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O4S/c1-17(2)25(3)31(29,30)21-11-9-20(10-12-21)24-23(28)19-15-22(27)26(16-19)14-13-18-7-5-4-6-8-18/h4-12,17,19H,13-16H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyCUJRNSFLNRZLAF-IBGZPJMESA-N
MW443.57 g/mol
LogP2.75
Rot. Bonds8

About (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 26084910) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID26084910
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O4S/c1-17(2)25(3)31(29,30)21-11-9-20(10-12-21)24-23(28)19-15-22(27)26(16-19)14-13-18-7-5-4-6-8-18/h4-12,17,19H,13-16H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyCUJRNSFLNRZLAF-IBGZPJMESA-N
XLogP2.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-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

(3R)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084911
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17081645
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3S)-5-oxo-1-(2-phenylethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2471735
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55468420
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964057
N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964063
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 26084910) is (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is CUJRNSFLNRZLAF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17(2)25(3)31(29,30)21-11-9-20(10-12-21)24-23(28)19-15-22(27)26(16-19)14-13-18-7-5-4-6-8-18/h4-12,17,19H,13-16H2,1-3H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 26084910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).