N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C22H22N2O5S — CID 3900901

IUPACN-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc(OC)c1
InChIInChI=1S/C22H22N2O5S/c1-24(18-7-5-4-6-8-18)30(26,27)21-11-9-16(10-12-21)22(25)23-17-13-19(28-2)15-20(14-17)29-3/h4-15H,1-3H3,(H,23,25)
InChIKeyXVJMYWRSNSCNSF-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.78
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 3900901) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID3900901
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc(OC)c1
InChIInChI=1S/C22H22N2O5S/c1-24(18-7-5-4-6-8-18)30(26,27)21-11-9-16(10-12-21)22(25)23-17-13-19(28-2)15-20(14-17)29-3/h4-15H,1-3H3,(H,23,25)
InChIKeyXVJMYWRSNSCNSF-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 3900901) is N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is XVJMYWRSNSCNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-24(18-7-5-4-6-8-18)30(26,27)21-11-9-16(10-12-21)22(25)23-17-13-19(28-2)15-20(14-17)29-3/h4-15H,1-3H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 426.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3900901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).