N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide

C25H23N3O5S — CID 25046463

IUPACN-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C25H23N3O5S/c1-17-7-5-6-10-21(17)24(30)27(16-18-8-3-2-4-9-18)22-15-23(29)28(25(22)31)19-11-13-20(14-12-19)34(26,32)33/h2-14,22H,15-16H2,1H3,(H2,26,32,33)
InChIKeyGVTWPCXOYGLBKK-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.62
Rot. Bonds6

About N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide

N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide (PubChem CID 25046463) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
PubChem CID25046463
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC NameN-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C25H23N3O5S/c1-17-7-5-6-10-21(17)24(30)27(16-18-8-3-2-4-9-18)22-15-23(29)28(25(22)31)19-11-13-20(14-12-19)34(26,32)33/h2-14,22H,15-16H2,1H3,(H2,26,32,33)
InChIKeyGVTWPCXOYGLBKK-UHFFFAOYSA-N
XLogP2.62
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.62
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

N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
CID 25043381
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 25043380
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
ethyl 4-[3-[(2-methylbenzoyl)-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23944553
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 25043936
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]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 25049124
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25045327
N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048835
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25049291
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048847
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25037000

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide?
The IUPAC name of N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide (CID 25046463) is N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N(Cc1ccccc1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide?
The InChIKey is GVTWPCXOYGLBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-17-7-5-6-10-21(17)24(30)27(16-18-8-3-2-4-9-18)22-15-23(29)28(25(22)31)19-11-13-20(14-12-19)34(26,32)33/h2-14,22H,15-16H2,1H3,(H2,26,32,33).
What are the key properties of N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide?
N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide has a molecular weight of 477.54 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 25046463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).