3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide

C25H28N2O4S — CID 92675351

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C25H28N2O4S/c1-5-31-23-12-7-6-10-21(23)16-26-25(28)20-14-13-18(3)24(15-20)32(29,30)27-22-11-8-9-17(2)19(22)4/h6-15,27H,5,16H2,1-4H3,(H,26,28)
InChIKeyXVYHEGWAYGUOGZ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.74
Rot. Bonds8

About 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide

3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide (PubChem CID 92675351) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
PubChem CID92675351
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C25H28N2O4S/c1-5-31-23-12-7-6-10-21(23)16-26-25(28)20-14-13-18(3)24(15-20)32(29,30)27-22-11-8-9-17(2)19(22)4/h6-15,27H,5,16H2,1-4H3,(H,26,28)
InChIKeyXVYHEGWAYGUOGZ-UHFFFAOYSA-N
XLogP4.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide 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-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 28570644
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
CID 43907762
4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 92675796
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 26878789
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100565123

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide (CID 92675351) is 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide is CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is XVYHEGWAYGUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-31-23-12-7-6-10-21(23)16-26-25(28)20-14-13-18(3)24(15-20)32(29,30)27-22-11-8-9-17(2)19(22)4/h6-15,27H,5,16H2,1-4H3,(H,26,28).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide?
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 92675351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).