N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide

C22H20N2O4S — CID 126346371

IUPACN-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N2O4S/c1-16(25)17-9-8-10-18(15-17)23-22(26)20-13-6-7-14-21(20)24(2)29(27,28)19-11-4-3-5-12-19/h3-15H,1-2H3,(H,23,26)
InChIKeySREBSXFVBNVYBC-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.97
Rot. Bonds6

About N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide

N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide (PubChem CID 126346371) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
PubChem CID126346371
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N2O4S/c1-16(25)17-9-8-10-18(15-17)23-22(26)20-13-6-7-14-21(20)24(2)29(27,28)19-11-4-3-5-12-19/h3-15H,1-2H3,(H,23,26)
InChIKeySREBSXFVBNVYBC-UHFFFAOYSA-N
XLogP3.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
CID 126272189
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
CID 1303909
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
N-(3-acetamidophenyl)-2-(N-methylanilino)benzamide
CID 55736923
2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1294778
methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
CID 21372616
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
ethyl 3-[[3-[benzenesulfonyl(methyl)amino]thiophene-2-carbonyl]amino]benzoate
CID 46391728
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide (CID 126346371) is N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide is CC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide?
The InChIKey is SREBSXFVBNVYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-16(25)17-9-8-10-18(15-17)23-22(26)20-13-6-7-14-21(20)24(2)29(27,28)19-11-4-3-5-12-19/h3-15H,1-2H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide?
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 126346371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).