3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide

C14H12F3NO2S — CID 4913564

IUPAC3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1cccs1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)18-13(19)8-7-12-2-1-9-21-12/h1-6,9H,7-8H2,(H,18,19)
InChIKeyKVECZTUQBHBIIS-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.22
Rot. Bonds5

About 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide

3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 4913564) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID4913564
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1cccs1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)18-13(19)8-7-12-2-1-9-21-12/h1-6,9H,7-8H2,(H,18,19)
InChIKeyKVECZTUQBHBIIS-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 7450766
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 46246301
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 25411323

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 4913564) is 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CCc1cccs1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is KVECZTUQBHBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)18-13(19)8-7-12-2-1-9-21-12/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 315.32 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 4913564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).