N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide

C23H22N2O4S — CID 1361093

IUPACN-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H22N2O4S/c1-17(26)19-11-8-12-20(15-19)24-23(27)21-13-6-7-14-22(21)25(30(2,28)29)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyBYTHTDLXVQEAJY-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.11
Rot. Bonds7

About N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide

N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide (PubChem CID 1361093) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
PubChem CID1361093
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H22N2O4S/c1-17(26)19-11-8-12-20(15-19)24-23(27)21-13-6-7-14-22(21)25(30(2,28)29)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyBYTHTDLXVQEAJY-UHFFFAOYSA-N
XLogP4.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 98123917
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 6103783
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1278302
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 982875
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide (CID 1361093) is N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide is CC(=O)c1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide?
The InChIKey is BYTHTDLXVQEAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-17(26)19-11-8-12-20(15-19)24-23(27)21-13-6-7-14-22(21)25(30(2,28)29)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide?
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 1361093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).