2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide

C14H18FNO2S — CID 71786217

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCCC(O)C1
InChIInChI=1S/C14H18FNO2S/c15-10-4-6-13(7-5-10)19-9-14(18)16-11-2-1-3-12(17)8-11/h4-7,11-12,17H,1-3,8-9H2,(H,16,18)
InChIKeyIPQUGXVZNIMEOY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide (PubChem CID 71786217) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide
PubChem CID71786217
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCCC(O)C1
InChIInChI=1S/C14H18FNO2S/c15-10-4-6-13(7-5-10)19-9-14(18)16-11-2-1-3-12(17)8-11/h4-7,11-12,17H,1-3,8-9H2,(H,16,18)
InChIKeyIPQUGXVZNIMEOY-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide (CID 71786217) is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide is O=C(CSc1ccc(F)cc1)NC1CCCC(O)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide?
The InChIKey is IPQUGXVZNIMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-10-4-6-13(7-5-10)19-9-14(18)16-11-2-1-3-12(17)8-11/h4-7,11-12,17H,1-3,8-9H2,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 71786217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).