[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate

C16H14F3NO3S — CID 55418017

IUPAC[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
SMILESCC(OC(=O)Cc1cccs1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO3S/c1-10(23-14(21)9-11-5-4-8-24-11)15(22)20-13-7-3-2-6-12(13)16(17,18)19/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyFXBAUJBGYMVRSA-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.88
Rot. Bonds5

About [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate

[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate (PubChem CID 55418017) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
PubChem CID55418017
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
SMILESCC(OC(=O)Cc1cccs1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO3S/c1-10(23-14(21)9-11-5-4-8-24-11)15(22)20-13-7-3-2-6-12(13)16(17,18)19/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyFXBAUJBGYMVRSA-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylacetate
CID 7798766
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984198
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506121
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-thiophen-2-ylpropanoate
CID 55359259
2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51249787
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662339
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 55420710
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylacetate
CID 7799100
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808033
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 46618612

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate?
The IUPAC name of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate (CID 55418017) is [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate?
The canonical SMILES for [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate is CC(OC(=O)Cc1cccs1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate?
The InChIKey is FXBAUJBGYMVRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-10(23-14(21)9-11-5-4-8-24-11)15(22)20-13-7-3-2-6-12(13)16(17,18)19/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate?
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate has a molecular weight of 357.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 55418017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).