N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide

C17H17N3O3S — CID 35708143

IUPACN-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-3-8-15(24(22,23)19-2)11-16(12)17(21)20-14-6-4-13(5-7-14)9-10-18/h3-8,11,19H,9H2,1-2H3,(H,20,21)
InChIKeyXIQAOGMONPETIU-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 35708143) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID35708143
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-3-8-15(24(22,23)19-2)11-16(12)17(21)20-14-6-4-13(5-7-14)9-10-18/h3-8,11,19H,9H2,1-2H3,(H,20,21)
InChIKeyXIQAOGMONPETIU-UHFFFAOYSA-N
XLogP2.22
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)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-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
methyl 5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methylbenzoate
CID 95971299
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 55752004
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 19062669
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55909075
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426
N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62515692
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 35708143) is N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(CC#N)cc2)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is XIQAOGMONPETIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-3-8-15(24(22,23)19-2)11-16(12)17(21)20-14-6-4-13(5-7-14)9-10-18/h3-8,11,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 343.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 35708143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).