N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C12H14F3NO2S — CID 86990373

IUPACN-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c1-2-5-16(7-10-4-3-6-19-10)11(17)8-18-9-12(13,14)15/h2-4,6H,1,5,7-9H2
InChIKeyDIPQXIKZEVRFKE-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.84
Rot. Bonds7

About N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990373) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990373
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC NameN-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c1-2-5-16(7-10-4-3-6-19-10)11(17)8-18-9-12(13,14)15/h2-4,6H,1,5,7-9H2
InChIKeyDIPQXIKZEVRFKE-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide 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-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990373) is N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is C=CCN(Cc1cccs1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DIPQXIKZEVRFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-2-5-16(7-10-4-3-6-19-10)11(17)8-18-9-12(13,14)15/h2-4,6H,1,5,7-9H2.
What are the key properties of N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 293.31 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).