N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C12H16F3NOS — CID 78858750

IUPACN-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)CCCc1cccs1
InChIInChI=1S/C12H16F3NOS/c1-2-16(9-12(13,14)15)11(17)7-3-5-10-6-4-8-18-10/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeySOQJGXRGVBDTSS-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide

N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 78858750) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID78858750
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC NameN-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)CCCc1cccs1
InChIInChI=1S/C12H16F3NOS/c1-2-16(9-12(13,14)15)11(17)7-3-5-10-6-4-8-18-10/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeySOQJGXRGVBDTSS-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide 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-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 78858750) is N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide is CCN(CC(F)(F)F)C(=O)CCCc1cccs1.
What is the InChIKey of N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is SOQJGXRGVBDTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-2-16(9-12(13,14)15)11(17)7-3-5-10-6-4-8-18-10/h4,6,8H,2-3,5,7,9H2,1H3.
What are the key properties of N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 279.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 78858750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).