N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

C24H22N4O5S — CID 25049124

IUPACN-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H22N4O5S/c25-34(32,33)20-10-8-19(9-11-20)28-23(30)14-21(24(28)31)27(16-18-7-4-12-26-15-18)22(29)13-17-5-2-1-3-6-17/h1-12,15,21H,13-14,16H2,(H2,25,32,33)
InChIKeyZUZDMBKXURMCFF-UHFFFAOYSA-N
MW478.53 g/mol
LogP1.63
Rot. Bonds7

About N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 25049124) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID25049124
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC NameN-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H22N4O5S/c25-34(32,33)20-10-8-19(9-11-20)28-23(30)14-21(24(28)31)27(16-18-7-4-12-26-15-18)22(29)13-17-5-2-1-3-6-17/h1-12,15,21H,13-14,16H2,(H2,25,32,33)
InChIKeyZUZDMBKXURMCFF-UHFFFAOYSA-N
XLogP1.63
TPSA130.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 25049309
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 25044971
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25045327
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048847
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 25042105
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25037000
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25034733
N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
CID 25046463
N-[(2-chlorophenyl)methyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23887054
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 23944662
2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 23972511

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (CID 25049124) is N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZUZDMBKXURMCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c25-34(32,33)20-10-8-19(9-11-20)28-23(30)14-21(24(28)31)27(16-18-7-4-12-26-15-18)22(29)13-17-5-2-1-3-6-17/h1-12,15,21H,13-14,16H2,(H2,25,32,33).
What are the key properties of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 478.53 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 25049124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).