2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide

C15H14FNO2S — CID 47476847

IUPAC2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CSc2ccccc2F)c1
InChIInChI=1S/C15H14FNO2S/c16-13-6-1-2-7-14(13)20-10-11-4-3-5-12(8-11)19-9-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyGLUOGXHYMQVCBY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide

2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide (PubChem CID 47476847) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide
PubChem CID47476847
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CSc2ccccc2F)c1
InChIInChI=1S/C15H14FNO2S/c16-13-6-1-2-7-14(13)20-10-11-4-3-5-12(8-11)19-9-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyGLUOGXHYMQVCBY-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[(E)-but-2-enyl]sulfanylmethyl]phenoxy]acetamide
CID 75407167
3-(2-amino-2-oxoethoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 134048512
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide
CID 71935665
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 18162327
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide
CID 75515555
(2S)-2-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119746713
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
CID 112550573
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide (CID 47476847) is 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide is NC(=O)COc1cccc(CSc2ccccc2F)c1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide?
The InChIKey is GLUOGXHYMQVCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-13-6-1-2-7-14(13)20-10-11-4-3-5-12(8-11)19-9-15(17)18/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide?
2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide is sourced from PubChem (CID 47476847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).