2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide

C14H18ClNOS — CID 879852

IUPAC2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C14H18ClNOS/c15-11-6-8-13(9-7-11)18-10-14(17)16-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)
InChIKeyZBOXQYAUFYDJLN-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide

2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide (PubChem CID 879852) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide
PubChem CID879852
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C14H18ClNOS/c15-11-6-8-13(9-7-11)18-10-14(17)16-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)
InChIKeyZBOXQYAUFYDJLN-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide (CID 879852) is 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide is O=C(CSc1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is ZBOXQYAUFYDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c15-11-6-8-13(9-7-11)18-10-14(17)16-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide?
2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 283.82 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 879852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).