N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide

C22H22N2O4S — CID 71904027

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1C
InChIInChI=1S/C22H22N2O4S/c1-15-8-11-17(12-9-15)22(25)23-18-13-10-16(2)21(14-18)29(26,27)24-19-6-4-5-7-20(19)28-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyUIVSVAGWLQPCQH-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.37
Rot. Bonds6

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide (PubChem CID 71904027) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
PubChem CID71904027
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1C
InChIInChI=1S/C22H22N2O4S/c1-15-8-11-17(12-9-15)22(25)23-18-13-10-16(2)21(14-18)29(26,27)24-19-6-4-5-7-20(19)28-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyUIVSVAGWLQPCQH-UHFFFAOYSA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide (CID 71904027) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1C.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide?
The InChIKey is UIVSVAGWLQPCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-8-11-17(12-9-15)22(25)23-18-13-10-16(2)21(14-18)29(26,27)24-19-6-4-5-7-20(19)28-3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide has a molecular weight of 410.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 71904027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).