4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide

C16H16ClNO2S — CID 24949671

IUPAC4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide
SMILESCCSc1c(C)c(-c2ccc(Cl)cc2)cc(O)c1C(N)=O
InChIInChI=1S/C16H16ClNO2S/c1-3-21-15-9(2)12(8-13(19)14(15)16(18)20)10-4-6-11(17)7-5-10/h4-8,19H,3H2,1-2H3,(H2,18,20)
InChIKeyFSUJBNSBIHMVBG-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.23
Rot. Bonds4

About 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide

4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide (PubChem CID 24949671) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide
PubChem CID24949671
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide
SMILESCCSc1c(C)c(-c2ccc(Cl)cc2)cc(O)c1C(N)=O
InChIInChI=1S/C16H16ClNO2S/c1-3-21-15-9(2)12(8-13(19)14(15)16(18)20)10-4-6-11(17)7-5-10/h4-8,19H,3H2,1-2H3,(H2,18,20)
InChIKeyFSUJBNSBIHMVBG-UHFFFAOYSA-N
XLogP4.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
CID 102511766
[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
CID 102414300
[3-benzoyl-2-ethylsulfanyl-4-hydroxy-6-(4-methylphenyl)phenyl]-phenylmethanone
CID 102414302
1-[4-(2-ethylsulfanyl-6-hydroxy-3-methyl-4-phenylphenyl)-2-hydroxyphenyl]ethanone
CID 102039046
6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
CID 102035731
ethyl 5-chloro-2-methylsulfonylbenzoate
CID 82551225
ethyl 6-(4-chlorophenyl)-4-hydroxy-2-methyl-3-[(4-nitrophenyl)methyl]benzoate
CID 102260133
ethyl 3-[bis(4-chlorophenyl)methyl]-6-hydroxy-2,4-dimethylbenzoate
CID 25256946
2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide
CID 143029603
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
CID 120506420

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide?
The IUPAC name of 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide (CID 24949671) is 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide is CCSc1c(C)c(-c2ccc(Cl)cc2)cc(O)c1C(N)=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide?
The InChIKey is FSUJBNSBIHMVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-3-21-15-9(2)12(8-13(19)14(15)16(18)20)10-4-6-11(17)7-5-10/h4-8,19H,3H2,1-2H3,(H2,18,20).
What are the key properties of 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide?
4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide has a molecular weight of 321.83 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide is sourced from PubChem (CID 24949671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).