3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide

C25H27N3O4S — CID 35186261

IUPAC3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C25H27N3O4S/c1-25(2,3)24(30)27-19-11-8-10-18(16-19)23(29)26-20-12-9-15-22(17-20)33(31,32)28(4)21-13-6-5-7-14-21/h5-17H,1-4H3,(H,26,29)(H,27,30)
InChIKeyUCNSCBSSJWTHQM-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.75
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide (PubChem CID 35186261) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
PubChem CID35186261
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C25H27N3O4S/c1-25(2,3)24(30)27-19-11-8-10-18(16-19)23(29)26-20-12-9-15-22(17-20)33(31,32)28(4)21-13-6-5-7-14-21/h5-17H,1-4H3,(H,26,29)(H,27,30)
InChIKeyUCNSCBSSJWTHQM-UHFFFAOYSA-N
XLogP4.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)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

Related Compounds

N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 25325336
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[methyl(phenyl)sulfamoyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 46599993

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide (CID 35186261) is 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is UCNSCBSSJWTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-25(2,3)24(30)27-19-11-8-10-18(16-19)23(29)26-20-12-9-15-22(17-20)33(31,32)28(4)21-13-6-5-7-14-21/h5-17H,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 35186261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).