4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide

C22H22N2O4S — CID 26537872

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-3-28-20-11-9-18(10-12-20)24-29(26,27)21-13-7-17(8-14-21)22(25)23-19-6-4-5-16(2)15-19/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyOBBXYKZVJWUITF-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.45
Rot. Bonds7

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide (PubChem CID 26537872) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
PubChem CID26537872
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-3-28-20-11-9-18(10-12-20)24-29(26,27)21-13-7-17(8-14-21)22(25)23-19-6-4-5-16(2)15-19/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyOBBXYKZVJWUITF-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

4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide
CID 26774579
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106832
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide (CID 26537872) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The InChIKey is OBBXYKZVJWUITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-3-28-20-11-9-18(10-12-20)24-29(26,27)21-13-7-17(8-14-21)22(25)23-19-6-4-5-16(2)15-19/h4-15,24H,3H2,1-2H3,(H,23,25).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)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 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 26537872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).