N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C23H22N2O4S — CID 26067652

IUPACN-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-16-8-14-20(15-9-16)30(28,29)25(3)19-12-10-18(11-13-19)23(27)24-22-7-5-4-6-21(22)17(2)26/h4-15H,1-3H3,(H,24,27)
InChIKeyPMXXVTIVDOOYDF-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.28
Rot. Bonds6

About N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 26067652) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID26067652
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-16-8-14-20(15-9-16)30(28,29)25(3)19-12-10-18(11-13-19)23(27)24-22-7-5-4-6-21(22)17(2)26/h4-15H,1-3H3,(H,24,27)
InChIKeyPMXXVTIVDOOYDF-UHFFFAOYSA-N
XLogP4.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 17201011
N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26180986
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525403
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700622
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 26067652) is N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is CC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is PMXXVTIVDOOYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-16-8-14-20(15-9-16)30(28,29)25(3)19-12-10-18(11-13-19)23(27)24-22-7-5-4-6-21(22)17(2)26/h4-15H,1-3H3,(H,24,27).
What are the key properties of N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26067652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).