5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide

C15H20ClNO2S — CID 111969627

IUPAC5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
SMILESCCSc1ccc(Cl)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H20ClNO2S/c1-2-20-14-8-3-10(16)9-13(14)15(19)17-11-4-6-12(18)7-5-11/h3,8-9,11-12,18H,2,4-7H2,1H3,(H,17,19)
InChIKeyQGUXEEFVQLYTPS-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.49
Rot. Bonds4

About 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide

5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 111969627) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
PubChem CID111969627
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
SMILESCCSc1ccc(Cl)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H20ClNO2S/c1-2-20-14-8-3-10(16)9-13(14)15(19)17-11-4-6-12(18)7-5-11/h3,8-9,11-12,18H,2,4-7H2,1H3,(H,17,19)
InChIKeyQGUXEEFVQLYTPS-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
CID 131943407
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
CID 111744162
N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
CID 119384225
5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide (CID 111969627) is 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide is CCSc1ccc(Cl)cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is QGUXEEFVQLYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-2-20-14-8-3-10(16)9-13(14)15(19)17-11-4-6-12(18)7-5-11/h3,8-9,11-12,18H,2,4-7H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide?
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 313.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 111969627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).