3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide

C15H20FNO2S — CID 104927361

IUPAC3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
SMILESO=C(CCSc1ccccc1F)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H20FNO2S/c16-11-5-1-4-8-14(11)20-10-9-15(19)17-12-6-2-3-7-13(12)18/h1,4-5,8,12-13,18H,2-3,6-7,9-10H2,(H,17,19)/t12-,13-/m1/s1
InChIKeyAPXWNQXYNINBKZ-CHWSQXEVSA-N
MW297.39 g/mol
LogP2.73
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide (PubChem CID 104927361) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
PubChem CID104927361
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
SMILESO=C(CCSc1ccccc1F)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H20FNO2S/c16-11-5-1-4-8-14(11)20-10-9-15(19)17-12-6-2-3-7-13(12)18/h1,4-5,8,12-13,18H,2-3,6-7,9-10H2,(H,17,19)/t12-,13-/m1/s1
InChIKeyAPXWNQXYNINBKZ-CHWSQXEVSA-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

3-(2-fluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)propanamide
CID 62358670
2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414053
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62358480
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 104927683
3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452021
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 47012967
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide (CID 104927361) is 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide is O=C(CCSc1ccccc1F)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The InChIKey is APXWNQXYNINBKZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20FNO2S/c16-11-5-1-4-8-14(11)20-10-9-15(19)17-12-6-2-3-7-13(12)18/h1,4-5,8,12-13,18H,2-3,6-7,9-10H2,(H,17,19)/t12-,13-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-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-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 104927361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).