2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide

C14H20FNO3S — CID 71787292

IUPAC2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
SMILESCSCCC(C)(O)CNC(=O)COc1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-14(18,7-8-20-2)10-16-13(17)9-19-12-6-4-3-5-11(12)15/h3-6,18H,7-10H2,1-2H3,(H,16,17)
InChIKeyWZDAZOZZQXMTNW-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.82
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide

2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide (PubChem CID 71787292) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
PubChem CID71787292
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
SMILESCSCCC(C)(O)CNC(=O)COc1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-14(18,7-8-20-2)10-16-13(17)9-19-12-6-4-3-5-11(12)15/h3-6,18H,7-10H2,1-2H3,(H,16,17)
InChIKeyWZDAZOZZQXMTNW-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide
CID 95984383
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984547
2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480362
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485139
1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984563
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 106289602

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide (CID 71787292) is 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide is CSCCC(C)(O)CNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
The InChIKey is WZDAZOZZQXMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-14(18,7-8-20-2)10-16-13(17)9-19-12-6-4-3-5-11(12)15/h3-6,18H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide has a molecular weight of 301.38 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide is sourced from PubChem (CID 71787292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).