N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide

C23H21NO4S — CID 7295227

IUPACN-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H21NO4S/c1-3-29(27,28)19-11-7-10-18(15-19)23(26)24-21-13-12-16(2)14-20(21)22(25)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyYVCYAPYUKYSJIP-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.27
Rot. Bonds6

About N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide

N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide (PubChem CID 7295227) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
PubChem CID7295227
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H21NO4S/c1-3-29(27,28)19-11-7-10-18(15-19)23(26)24-21-13-12-16(2)14-20(21)22(25)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyYVCYAPYUKYSJIP-UHFFFAOYSA-N
XLogP4.27
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 7295239
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide (CID 7295227) is N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide?
The InChIKey is YVCYAPYUKYSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-3-29(27,28)19-11-7-10-18(15-19)23(26)24-21-13-12-16(2)14-20(21)22(25)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide?
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide has a molecular weight of 407.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide is sourced from PubChem (CID 7295227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).