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

C22H19N5O5S — CID 2147320

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)n1
InChIInChI=1S/C22H19N5O5S/c1-14-12-13-23-22(24-14)26-33(31,32)18-8-4-16(5-9-18)25-21(30)15-2-6-17(7-3-15)27-19(28)10-11-20(27)29/h2-9,12-13H,10-11H2,1H3,(H,25,30)(H,23,24,26)
InChIKeyKPKDLTKQGMRHBO-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.49
Rot. Bonds6

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 2147320) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID2147320
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)n1
InChIInChI=1S/C22H19N5O5S/c1-14-12-13-23-22(24-14)26-33(31,32)18-8-4-16(5-9-18)25-21(30)15-2-6-17(7-3-15)27-19(28)10-11-20(27)29/h2-9,12-13H,10-11H2,1H3,(H,25,30)(H,23,24,26)
InChIKeyKPKDLTKQGMRHBO-UHFFFAOYSA-N
XLogP2.49
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 2147320) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)n1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is KPKDLTKQGMRHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c1-14-12-13-23-22(24-14)26-33(31,32)18-8-4-16(5-9-18)25-21(30)15-2-6-17(7-3-15)27-19(28)10-11-20(27)29/h2-9,12-13H,10-11H2,1H3,(H,25,30)(H,23,24,26).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 465.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2147320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).