5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

C9H10F3NO2S — CID 81343236

IUPAC5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-6-3-4-7(16-6)8(14)13-15-5-9(10,11)12/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeyPWQIZFBWVKZHCY-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.53
Rot. Bonds4

About 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (PubChem CID 81343236) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
PubChem CID81343236
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-6-3-4-7(16-6)8(14)13-15-5-9(10,11)12/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeyPWQIZFBWVKZHCY-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide 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 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (CID 81343236) is 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is CCc1ccc(C(=O)NOCC(F)(F)F)s1.
What is the InChIKey of 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The InChIKey is PWQIZFBWVKZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-6-3-4-7(16-6)8(14)13-15-5-9(10,11)12/h3-4H,2,5H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide has a molecular weight of 253.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 81343236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).