[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate

C11H11F3N2O4S — CID 26734255

IUPAC[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H11F3N2O4S/c1-6-2-3-7(21-6)9(18)20-4-8(17)16-10(19)15-5-11(12,13)14/h2-3H,4-5H2,1H3,(H2,15,16,17,19)
InChIKeyYCMGWGRSSKLDOM-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.60
Rot. Bonds4

About [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate (PubChem CID 26734255) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate
PubChem CID26734255
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H11F3N2O4S/c1-6-2-3-7(21-6)9(18)20-4-8(17)16-10(19)15-5-11(12,13)14/h2-3H,4-5H2,1H3,(H2,15,16,17,19)
InChIKeyYCMGWGRSSKLDOM-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate 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-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate (CID 26734255) is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)s1.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is YCMGWGRSSKLDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c1-6-2-3-7(21-6)9(18)20-4-8(17)16-10(19)15-5-11(12,13)14/h2-3H,4-5H2,1H3,(H2,15,16,17,19).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 324.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 26734255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).