N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C22H20N2O4S — CID 2597397

IUPACN-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-16(25)17-8-12-19(13-9-17)23-22(26)18-10-14-21(15-11-18)29(27,28)24(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,23,26)
InChIKeyNFWNRZNRICRISP-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.97
Rot. Bonds6

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

N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2597397) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2597397
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-16(25)17-8-12-19(13-9-17)23-22(26)18-10-14-21(15-11-18)29(27,28)24(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,23,26)
InChIKeyNFWNRZNRICRISP-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

4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1296255
N-dibenzofuran-2-yl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2110736
4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78774991
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2597397) is N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is NFWNRZNRICRISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-16(25)17-8-12-19(13-9-17)23-22(26)18-10-14-21(15-11-18)29(27,28)24(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]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-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2597397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).