[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate

C14H10F3NO3S — CID 2352753

IUPAC[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO3S/c15-9-3-4-10(14(17)13(9)16)18-11(19)7-21-12(20)6-8-2-1-5-22-8/h1-5H,6-7H2,(H,18,19)
InChIKeyYKHVBWHVBVDQBD-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.89
Rot. Bonds5

About [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate (PubChem CID 2352753) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
PubChem CID2352753
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO3S/c15-9-3-4-10(14(17)13(9)16)18-11(19)7-21-12(20)6-8-2-1-5-22-8/h1-5H,6-7H2,(H,18,19)
InChIKeyYKHVBWHVBVDQBD-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate (CID 2352753) is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate is O=C(COC(=O)Cc1cccs1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate?
The InChIKey is YKHVBWHVBVDQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-9-3-4-10(14(17)13(9)16)18-11(19)7-21-12(20)6-8-2-1-5-22-8/h1-5H,6-7H2,(H,18,19).
What are the key properties of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate?
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate has a molecular weight of 329.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 2352753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).