2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide

C13H17F2NO2S — CID 107319095

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCCCCCO
InChIInChI=1S/C13H17F2NO2S/c14-11-5-4-10(8-12(11)15)19-9-13(18)16-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyYIWOJQZJEXORAI-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.34
Rot. Bonds8

About 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide (PubChem CID 107319095) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
PubChem CID107319095
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCCCCCO
InChIInChI=1S/C13H17F2NO2S/c14-11-5-4-10(8-12(11)15)19-9-13(18)16-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyYIWOJQZJEXORAI-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
ethyl 4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]butanoate
CID 60665471
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 78810219
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 103770230
(2S)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107821669
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
2-(4-tert-butylphenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 78854668

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide (CID 107319095) is 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide is O=C(CSc1ccc(F)c(F)c1)NCCCCCO.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
The InChIKey is YIWOJQZJEXORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c14-11-5-4-10(8-12(11)15)19-9-13(18)16-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7,9H2,(H,16,18).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide has a molecular weight of 289.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107319095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).