N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C12H12F3NO2S — CID 55009477

IUPACN-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C12H12F3NO2S/c1-2-16(8-12(13,14)15)11(18)10-6-5-9(19-10)4-3-7-17/h5-6,17H,2,7-8H2,1H3
InChIKeyRGOAIHWAIZJZOI-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.12
Rot. Bonds3

About N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 55009477) has the molecular formula C12H12F3NO2S and a molecular weight of 291.29 g/mol. Its IUPAC name is N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID55009477
Molecular FormulaC12H12F3NO2S
Molecular Weight291.29 g/mol
Exact Mass291.05
IUPAC NameN-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C12H12F3NO2S/c1-2-16(8-12(13,14)15)11(18)10-6-5-9(19-10)4-3-7-17/h5-6,17H,2,7-8H2,1H3
InChIKeyRGOAIHWAIZJZOI-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)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 N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 55009477) is N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCN(CC(F)(F)F)C(=O)c1ccc(C#CCO)s1.
What is the InChIKey of N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is RGOAIHWAIZJZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2S/c1-2-16(8-12(13,14)15)11(18)10-6-5-9(19-10)4-3-7-17/h5-6,17H,2,7-8H2,1H3.
What are the key properties of N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55009477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).