2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide

C14H17F2NO2S — CID 62358480

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CSc1ccc(F)cc1F)NC1CCCCC1O
InChIInChI=1S/C14H17F2NO2S/c15-9-5-6-13(10(16)7-9)20-8-14(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4,8H2,(H,17,19)
InChIKeyJCWYNTYESNXKLZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.48
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide

2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 62358480) has the molecular formula C14H17F2NO2S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide
PubChem CID62358480
Molecular FormulaC14H17F2NO2S
Molecular Weight301.36 g/mol
Exact Mass301.09
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CSc1ccc(F)cc1F)NC1CCCCC1O
InChIInChI=1S/C14H17F2NO2S/c15-9-5-6-13(10(16)7-9)20-8-14(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4,8H2,(H,17,19)
InChIKeyJCWYNTYESNXKLZ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414053
3-(2-fluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)propanamide
CID 62358670
3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 104927361
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771027
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771167
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 104927939
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 79128505
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide (CID 62358480) is 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide is O=C(CSc1ccc(F)cc1F)NC1CCCCC1O.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is JCWYNTYESNXKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2S/c15-9-5-6-13(10(16)7-9)20-8-14(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4,8H2,(H,17,19).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide has a molecular weight of 301.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 62358480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).