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

C22H18ClNO2S — CID 41044373

IUPACN-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2S/c1-2-27-18-11-8-16(9-12-18)22(26)24-20-13-10-17(23)14-19(20)21(25)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,26)
InChIKeyULXZEBMOQXHAFF-UHFFFAOYSA-N
MW395.91 g/mol
LogP5.94
Rot. Bonds6

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

N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide (PubChem CID 41044373) has the molecular formula C22H18ClNO2S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
PubChem CID41044373
Molecular FormulaC22H18ClNO2S
Molecular Weight395.91 g/mol
Exact Mass395.07
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2S/c1-2-27-18-11-8-16(9-12-18)22(26)24-20-13-10-17(23)14-19(20)21(25)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,26)
InChIKeyULXZEBMOQXHAFF-UHFFFAOYSA-N
XLogP5.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide
CID 43980891
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide (CID 41044373) is N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide?
The InChIKey is ULXZEBMOQXHAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2S/c1-2-27-18-11-8-16(9-12-18)22(26)24-20-13-10-17(23)14-19(20)21(25)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide?
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide has a molecular weight of 395.91 g/mol, XLogP of 5.94, 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-chlorophenyl)-4-ethylsulfanylbenzamide is sourced from PubChem (CID 41044373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).