N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide

C23H21NO2S — CID 41044372

IUPACN-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2S/c1-3-27-19-12-10-18(11-13-19)23(26)24-21-14-9-16(2)15-20(21)22(25)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyFQIJOURFHBZHGU-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.59
Rot. Bonds6

About N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide

N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide (PubChem CID 41044372) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
PubChem CID41044372
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC NameN-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2S/c1-3-27-19-12-10-18(11-13-19)23(26)24-21-14-9-16(2)15-20(21)22(25)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyFQIJOURFHBZHGU-UHFFFAOYSA-N
XLogP5.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
CID 7295227
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8700658
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
CID 41126334
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide (CID 41044372) is N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide?
The InChIKey is FQIJOURFHBZHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-3-27-19-12-10-18(11-13-19)23(26)24-21-14-9-16(2)15-20(21)22(25)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide?
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide is sourced from PubChem (CID 41044372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).