2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide

C15H18N2O2S — CID 110932040

IUPAC2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide
SMILESN#Cc1ccc(SCC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H18N2O2S/c16-9-11-1-7-14(8-2-11)20-10-15(19)17-12-3-5-13(18)6-4-12/h1-2,7-8,12-13,18H,3-6,10H2,(H,17,19)
InChIKeyWGEPHXRFZAOPMB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide

2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 110932040) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide
PubChem CID110932040
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide
SMILESN#Cc1ccc(SCC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H18N2O2S/c16-9-11-1-7-14(8-2-11)20-10-15(19)17-12-3-5-13(18)6-4-12/h1-2,7-8,12-13,18H,3-6,10H2,(H,17,19)
InChIKeyWGEPHXRFZAOPMB-UHFFFAOYSA-N
XLogP2.07
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide (CID 110932040) is 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide is N#Cc1ccc(SCC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is WGEPHXRFZAOPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-9-11-1-7-14(8-2-11)20-10-15(19)17-12-3-5-13(18)6-4-12/h1-2,7-8,12-13,18H,3-6,10H2,(H,17,19).
What are the key properties of 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide?
2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 110932040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).