3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide

C15H20FNO2S — CID 43389137

IUPAC3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NC1CCC(O)CC1
InChIInChI=1S/C15H20FNO2S/c16-11-1-7-14(8-2-11)20-10-9-15(19)17-12-3-5-13(18)6-4-12/h1-2,7-8,12-13,18H,3-6,9-10H2,(H,17,19)
InChIKeyVMIYMZBSVJXMEF-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.73
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide

3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 43389137) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide
PubChem CID43389137
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NC1CCC(O)CC1
InChIInChI=1S/C15H20FNO2S/c16-11-1-7-14(8-2-11)20-10-9-15(19)17-12-3-5-13(18)6-4-12/h1-2,7-8,12-13,18H,3-6,9-10H2,(H,17,19)
InChIKeyVMIYMZBSVJXMEF-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide
CID 43389266
2-[(4-fluorophenyl)sulfanyl]-N-(3-hydroxycyclohexyl)acetamide
CID 71786217
N-(3-hydroxycyclohexyl)-3-(phenylthio)propanamide
CID 71786219
N-(2-cyclohexyl-2-hydroxyethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71782115
N-[2-[p-Fluorophenylthio]ethyl]-4-hydroxybutyramide
CID 593020
5-(4-Fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one
CID 155261465
3-(4-Fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one
CID 170053253
2-[(4-Fluorophenyl)sulfanylmethyl]piperidin-4-ol
CID 171543420
(2S)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 7737142
(2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 7737143
(2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046430

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide (CID 43389137) is 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide is O=C(CCSc1ccc(F)cc1)NC1CCC(O)CC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is VMIYMZBSVJXMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c16-11-1-7-14(8-2-11)20-10-9-15(19)17-12-3-5-13(18)6-4-12/h1-2,7-8,12-13,18H,3-6,9-10H2,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 297.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 43389137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).