N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide

C22H17Cl2NO2S — CID 43980891

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H17Cl2NO2S/c1-2-28-16-7-5-6-14(12-16)22(27)25-20-11-10-15(23)13-18(20)21(26)17-8-3-4-9-19(17)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyRWMPMVGVBAGKQB-UHFFFAOYSA-N
MW430.36 g/mol
LogP6.59
Rot. Bonds6

About N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide (PubChem CID 43980891) has the molecular formula C22H17Cl2NO2S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide
PubChem CID43980891
Molecular FormulaC22H17Cl2NO2S
Molecular Weight430.36 g/mol
Exact Mass429.04
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H17Cl2NO2S/c1-2-28-16-7-5-6-14(12-16)22(27)25-20-11-10-15(23)13-18(20)21(26)17-8-3-4-9-19(17)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyRWMPMVGVBAGKQB-UHFFFAOYSA-N
XLogP6.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
N-(4-chloro-1,3-benzothiazol-7-yl)-3-ethylsulfanylbenzamide
CID 8702266
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)anilino]-2-oxoethyl]acetamide
CID 21153465
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
CID 4512457
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide (CID 43980891) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide is CCSc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide?
The InChIKey is RWMPMVGVBAGKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2S/c1-2-28-16-7-5-6-14(12-16)22(27)25-20-11-10-15(23)13-18(20)21(26)17-8-3-4-9-19(17)24/h3-13H,2H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide has a molecular weight of 430.36 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide is sourced from PubChem (CID 43980891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).