2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide

C17H24FNO2S2 — CID 19000326

IUPAC2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSC1CCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C17H24FNO2S2/c1-21-11-10-19-17(20)12-22-15-4-2-3-5-16(15)23-14-8-6-13(18)7-9-14/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20)
InChIKeyBNUJSLCXIFVCDG-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.72
Rot. Bonds8

About 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide

2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide (PubChem CID 19000326) has the molecular formula C17H24FNO2S2 and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide
PubChem CID19000326
Molecular FormulaC17H24FNO2S2
Molecular Weight357.52 g/mol
Exact Mass357.12
IUPAC Name2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSC1CCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C17H24FNO2S2/c1-21-11-10-19-17(20)12-22-15-4-2-3-5-16(15)23-14-8-6-13(18)7-9-14/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20)
InChIKeyBNUJSLCXIFVCDG-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide (CID 19000326) is 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSC1CCCCC1Sc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide?
The InChIKey is BNUJSLCXIFVCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2S2/c1-21-11-10-19-17(20)12-22-15-4-2-3-5-16(15)23-14-8-6-13(18)7-9-14/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide?
2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 19000326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).