3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide

C14H10F3N3O2S — CID 71969634

IUPAC3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide
SMILESN#Cc1ccsc1C(=O)NCCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)10-1-2-11(20-8-10)22-5-4-19-13(21)12-9(7-18)3-6-23-12/h1-3,6,8H,4-5H2,(H,19,21)
InChIKeyVSXWPHSQSZXZEZ-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.84
Rot. Bonds5

About 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide

3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide (PubChem CID 71969634) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide
PubChem CID71969634
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide
SMILESN#Cc1ccsc1C(=O)NCCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)10-1-2-11(20-8-10)22-5-4-19-13(21)12-9(7-18)3-6-23-12/h1-3,6,8H,4-5H2,(H,19,21)
InChIKeyVSXWPHSQSZXZEZ-UHFFFAOYSA-N
XLogP2.84
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]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

Related Compounds

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-2-carboxamide
CID 71918358
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide
CID 71969635
2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 129392878
2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
CID 71851017
7-hydroxy-2-thiophen-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1H-benzimidazole-4-carboxamide
CID 44628456
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile
CID 133491410
1,2-dimethyl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 86779149
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide (CID 71969634) is 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide is N#Cc1ccsc1C(=O)NCCOc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide?
The InChIKey is VSXWPHSQSZXZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)10-1-2-11(20-8-10)22-5-4-19-13(21)12-9(7-18)3-6-23-12/h1-3,6,8H,4-5H2,(H,19,21).
What are the key properties of 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide?
3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide has a molecular weight of 341.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71969634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).