4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide

C22H22N2O4S — CID 9266307

IUPAC4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-24(20-8-4-3-5-9-20)29(26,27)21-10-6-7-19(15-21)23-22(25)18-13-11-17(12-14-18)16-28-2/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyYNJCZHPFGOZZPE-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.91
Rot. Bonds7

About 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide

4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide (PubChem CID 9266307) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
PubChem CID9266307
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-24(20-8-4-3-5-9-20)29(26,27)21-10-6-7-19(15-21)23-22(25)18-13-11-17(12-14-18)16-28-2/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyYNJCZHPFGOZZPE-UHFFFAOYSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide (CID 9266307) is 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide is COCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is YNJCZHPFGOZZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-24(20-8-4-3-5-9-20)29(26,27)21-10-6-7-19(15-21)23-22(25)18-13-11-17(12-14-18)16-28-2/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 9266307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).