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

C13H17F2NO2S — CID 115700812

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide
SMILESCCCC(O)CNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2S/c1-2-3-10(17)7-16-13(18)8-19-12-5-4-9(14)6-11(12)15/h4-6,10,17H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyQCSGLMQAULDWEG-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.33
Rot. Bonds7

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

2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide (PubChem CID 115700812) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide
PubChem CID115700812
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide
SMILESCCCC(O)CNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2S/c1-2-3-10(17)7-16-13(18)8-19-12-5-4-9(14)6-11(12)15/h4-6,10,17H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyQCSGLMQAULDWEG-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
3-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 81065977
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
methyl 4-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]benzoate
CID 9046148
ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
CID 8837223
N-ethyl-2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]sulfanylacetamide
CID 114234790
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66180289
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
(2R)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 103926709
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107821920
2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 43241590

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide (CID 115700812) is 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide is CCCC(O)CNC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide?
The InChIKey is QCSGLMQAULDWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-2-3-10(17)7-16-13(18)8-19-12-5-4-9(14)6-11(12)15/h4-6,10,17H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide has a molecular weight of 289.35 g/mol, XLogP of 2.33, 7 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-hydroxypentyl)acetamide is sourced from PubChem (CID 115700812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).