N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide

C14H18FNOS — CID 893674

IUPACN-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C14H18FNOS/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)
InChIKeyUTSGVVZCADMULS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.37
Rot. Bonds4

About N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide

N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 893674) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID893674
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C14H18FNOS/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)
InChIKeyUTSGVVZCADMULS-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide (CID 893674) is N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is UTSGVVZCADMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/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 N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide?
N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 267.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 893674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).