2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C14H13F2NO2S — CID 31849974

IUPAC2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H13F2NO2S/c1-9(13-3-2-6-20-13)17-14(18)8-19-12-5-4-10(15)7-11(12)16/h2-7,9H,8H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyZUBPFNOAIZMACQ-VIFPVBQESA-N
MW297.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 31849974) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID31849974
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H13F2NO2S/c1-9(13-3-2-6-20-13)17-14(18)8-19-12-5-4-10(15)7-11(12)16/h2-7,9H,8H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyZUBPFNOAIZMACQ-VIFPVBQESA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 78484094
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7438328
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667487
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 31849974) is 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)COc1ccc(F)cc1F)c1cccs1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is ZUBPFNOAIZMACQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-9(13-3-2-6-20-13)17-14(18)8-19-12-5-4-10(15)7-11(12)16/h2-7,9H,8H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 31849974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).