[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate

C14H10F3NO3S — CID 734297

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)9-4-1-2-5-10(9)18-12(19)8-21-13(20)11-6-3-7-22-11/h1-7H,8H2,(H,18,19)
InChIKeyZORYQLTVXZHBLL-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.56
Rot. Bonds4

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate (PubChem CID 734297) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate
PubChem CID734297
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)9-4-1-2-5-10(9)18-12(19)8-21-13(20)11-6-3-7-22-11/h1-7H,8H2,(H,18,19)
InChIKeyZORYQLTVXZHBLL-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate (CID 734297) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate?
The InChIKey is ZORYQLTVXZHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-14(16,17)9-4-1-2-5-10(9)18-12(19)8-21-13(20)11-6-3-7-22-11/h1-7H,8H2,(H,18,19).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate has a molecular weight of 329.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 734297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).