3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide

C25H27N3O4S — CID 39130989

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-17(2)24(29)26-20-8-6-9-21(16-20)27-25(30)19-7-5-10-23(15-19)33(31,32)28(4)22-13-11-18(3)12-14-22/h5-17H,1-4H3,(H,26,29)(H,27,30)
InChIKeyGZADROHRBUGIJX-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.67
Rot. Bonds7

About 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide

3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 39130989) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID39130989
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-17(2)24(29)26-20-8-6-9-21(16-20)27-25(30)19-7-5-10-23(15-19)33(31,32)28(4)22-13-11-18(3)12-14-22/h5-17H,1-4H3,(H,26,29)(H,27,30)
InChIKeyGZADROHRBUGIJX-UHFFFAOYSA-N
XLogP4.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)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

Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55611308
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887044
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 39130989) is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)c2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is GZADROHRBUGIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17(2)24(29)26-20-8-6-9-21(16-20)27-25(30)19-7-5-10-23(15-19)33(31,32)28(4)22-13-11-18(3)12-14-22/h5-17H,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 39130989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).