N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide

C22H22N2O4S — CID 1020106

IUPACN-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C22H22N2O4S/c1-3-28-20-13-6-5-12-19(20)23-22(25)17-10-8-11-18(15-17)24-29(26,27)21-14-7-4-9-16(21)2/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyQQGLPXSOZDRWNJ-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.45
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide

N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide (PubChem CID 1020106) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
PubChem CID1020106
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C22H22N2O4S/c1-3-28-20-13-6-5-12-19(20)23-22(25)17-10-8-11-18(15-17)24-29(26,27)21-14-7-4-9-16(21)2/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyQQGLPXSOZDRWNJ-UHFFFAOYSA-N
XLogP4.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 110295913
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55771323

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide (CID 1020106) is N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide is CCOc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide?
The InChIKey is QQGLPXSOZDRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-3-28-20-13-6-5-12-19(20)23-22(25)17-10-8-11-18(15-17)24-29(26,27)21-14-7-4-9-16(21)2/h4-15,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide?
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide has a molecular weight of 410.50 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 1020106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).