2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

C13H18FNO3S — CID 95984115

IUPAC2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@@](C)(O)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-13(17,9-19-2)8-15-12(16)7-18-11-5-3-10(14)4-6-11/h3-6,17H,7-9H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyOXLTXZOEIDXHGY-ZDUSSCGKSA-N
MW287.36 g/mol
LogP1.43
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (PubChem CID 95984115) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
PubChem CID95984115
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@@](C)(O)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-13(17,9-19-2)8-15-12(16)7-18-11-5-3-10(14)4-6-11/h3-6,17H,7-9H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyOXLTXZOEIDXHGY-ZDUSSCGKSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380791
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90522997
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111479721
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (CID 95984115) is 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is CSC[C@@](C)(O)CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The InChIKey is OXLTXZOEIDXHGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-13(17,9-19-2)8-15-12(16)7-18-11-5-3-10(14)4-6-11/h3-6,17H,7-9H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is sourced from PubChem (CID 95984115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).