N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide

C14H18FNS — CID 142662405

IUPACN-cyclohexyl-N-(4-fluorophenyl)ethanethioamide
SMILESCC(=S)N(c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C14H18FNS/c1-11(17)16(13-5-3-2-4-6-13)14-9-7-12(15)8-10-14/h7-10,13H,2-6H2,1H3
InChIKeyRIHDUAYHSWXOGM-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.31
Rot. Bonds2

About N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide

N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide (PubChem CID 142662405) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(4-fluorophenyl)ethanethioamide
PubChem CID142662405
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC NameN-cyclohexyl-N-(4-fluorophenyl)ethanethioamide
SMILESCC(=S)N(c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C14H18FNS/c1-11(17)16(13-5-3-2-4-6-13)14-9-7-12(15)8-10-14/h7-10,13H,2-6H2,1H3
InChIKeyRIHDUAYHSWXOGM-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide?
The IUPAC name of N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide (CID 142662405) is N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide.
What is the SMILES notation for N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide?
The canonical SMILES for N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide is CC(=S)N(c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide?
The InChIKey is RIHDUAYHSWXOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNS/c1-11(17)16(13-5-3-2-4-6-13)14-9-7-12(15)8-10-14/h7-10,13H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide?
N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide has a molecular weight of 251.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide is sourced from PubChem (CID 142662405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).