N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H23N3O6S — CID 55628742

IUPACN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C24H23N3O6S/c1-33-22-10-6-5-9-19(22)26-34(31,32)18-11-12-21(28)20(14-18)25-24(30)16-13-23(29)27(15-16)17-7-3-2-4-8-17/h2-12,14,16,26,28H,13,15H2,1H3,(H,25,30)
InChIKeyKZJCGAVEXQYAJO-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.19
Rot. Bonds7

About N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 55628742) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID55628742
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C24H23N3O6S/c1-33-22-10-6-5-9-19(22)26-34(31,32)18-11-12-21(28)20(14-18)25-24(30)16-13-23(29)27(15-16)17-7-3-2-4-8-17/h2-12,14,16,26,28H,13,15H2,1H3,(H,25,30)
InChIKeyKZJCGAVEXQYAJO-UHFFFAOYSA-N
XLogP3.19
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 34909716
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
(3R)-1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109940
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24596987
(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43050057
methyl 4,5-dimethoxy-2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate
CID 46687125
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42930090

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 55628742) is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1.
What is the InChIKey of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is KZJCGAVEXQYAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-33-22-10-6-5-9-19(22)26-34(31,32)18-11-12-21(28)20(14-18)25-24(30)16-13-23(29)27(15-16)17-7-3-2-4-8-17/h2-12,14,16,26,28H,13,15H2,1H3,(H,25,30).
What are the key properties of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55628742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).