N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide

C15H18FNO2S — CID 2465081

IUPACN-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide
SMILESO=C(CSc1ccc(F)cc1)NC(=O)C1CCCCC1
InChIInChI=1S/C15H18FNO2S/c16-12-6-8-13(9-7-12)20-10-14(18)17-15(19)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,17,18,19)
InChIKeyIJFDDPSXODTFMW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide

N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide (PubChem CID 2465081) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide
PubChem CID2465081
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC NameN-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide
SMILESO=C(CSc1ccc(F)cc1)NC(=O)C1CCCCC1
InChIInChI=1S/C15H18FNO2S/c16-12-6-8-13(9-7-12)20-10-14(18)17-15(19)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,17,18,19)
InChIKeyIJFDDPSXODTFMW-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide (CID 2465081) is N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide is O=C(CSc1ccc(F)cc1)NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide?
The InChIKey is IJFDDPSXODTFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c16-12-6-8-13(9-7-12)20-10-14(18)17-15(19)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,17,18,19).
What are the key properties of N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide?
N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfanylacetyl]cyclohexanecarboxamide is sourced from PubChem (CID 2465081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).