3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide

C24H26N2O4S — CID 2232377

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
SMILESCC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC(=C3C)C
InChIInChI=1S/C24H26N2O4S/c1-15-9-12-22(30-5)21(13-15)25-24(27)19-11-10-17(3)23(14-19)31(28,29)26-20-8-6-7-16(2)18(20)4/h6-14,26H,1-5H3,(H,25,27)
InChIKeyTULLZDRBQJVZNS-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.70
Rot. Bonds6

About 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide

3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide (PubChem CID 2232377) has the molecular formula C24H26N2O4S and a molecular weight of 438.50 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
PubChem CID2232377
Molecular FormulaC24H26N2O4S
Molecular Weight438.50 g/mol
Exact Mass438.16
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
SMILESCC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC(=C3C)C
InChIInChI=1S/C24H26N2O4S/c1-15-9-12-22(30-5)21(13-15)25-24(27)19-11-10-17(3)23(14-19)31(28,29)26-20-8-6-7-16(2)18(20)4/h6-14,26H,1-5H3,(H,25,27)
InChIKeyTULLZDRBQJVZNS-UHFFFAOYSA-N
XLogP4.70
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity707

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide (CID 2232377) is 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide is CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC(=C3C)C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide?
The InChIKey is TULLZDRBQJVZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-15-9-12-22(30-5)21(13-15)25-24(27)19-11-10-17(3)23(14-19)31(28,29)26-20-8-6-7-16(2)18(20)4/h6-14,26H,1-5H3,(H,25,27).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide?
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide has a molecular weight of 438.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 2232377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).