N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C25H23N3O5S — CID 31493862

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C25H23N3O5S/c1-27(17-18-6-3-2-4-7-18)34(32,33)22-12-10-20(11-13-22)26-25(31)19-8-5-9-21(16-19)28-23(29)14-15-24(28)30/h2-13,16H,14-15,17H2,1H3,(H,26,31)
InChIKeyFZKHNWUXOARPIC-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.41
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 31493862) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID31493862
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C25H23N3O5S/c1-27(17-18-6-3-2-4-7-18)34(32,33)22-12-10-20(11-13-22)26-25(31)19-8-5-9-21(16-19)28-23(29)14-15-24(28)30/h2-13,16H,14-15,17H2,1H3,(H,26,31)
InChIKeyFZKHNWUXOARPIC-UHFFFAOYSA-N
XLogP3.41
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31289877
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
CID 1025638
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 31512558
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152498

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 31493862) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is FZKHNWUXOARPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-27(17-18-6-3-2-4-7-18)34(32,33)22-12-10-20(11-13-22)26-25(31)19-8-5-9-21(16-19)28-23(29)14-15-24(28)30/h2-13,16H,14-15,17H2,1H3,(H,26,31).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 477.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 31493862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).