[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate

C15H12F3NO3S — CID 2344902

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)11-1-3-12(4-2-11)19-13(20)8-22-14(21)7-10-5-6-23-9-10/h1-6,9H,7-8H2,(H,19,20)
InChIKeyMYTVLFPQRRUEEQ-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.49
Rot. Bonds5

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate (PubChem CID 2344902) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
PubChem CID2344902
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)11-1-3-12(4-2-11)19-13(20)8-22-14(21)7-10-5-6-23-9-10/h1-6,9H,7-8H2,(H,19,20)
InChIKeyMYTVLFPQRRUEEQ-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767308
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611109
[2-(4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767521
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-nitrophenyl)acetate
CID 2091999
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate (CID 2344902) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate?
The InChIKey is MYTVLFPQRRUEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c16-15(17,18)11-1-3-12(4-2-11)19-13(20)8-22-14(21)7-10-5-6-23-9-10/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate has a molecular weight of 343.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2344902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).