4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C13H10F3NO2S — CID 91259880

IUPAC4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C13H10F3NO2S/c14-13(15,16)19-10-3-1-8(2-4-10)5-9-6-11(12(17)18)20-7-9/h1-4,6-7H,5H2,(H2,17,18)
InChIKeyWWAYIOHLVKZKTI-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.34
Rot. Bonds4

About 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 91259880) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID91259880
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Name4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C13H10F3NO2S/c14-13(15,16)19-10-3-1-8(2-4-10)5-9-6-11(12(17)18)20-7-9/h1-4,6-7H,5H2,(H2,17,18)
InChIKeyWWAYIOHLVKZKTI-UHFFFAOYSA-N
XLogP3.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(trifluoromethoxy)phenyl]methyl]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

4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide
CID 175987906
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
ethyl 4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]benzoate
CID 10049366
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 139746208
2-[[4-(trifluoromethoxy)phenyl]methylamino]oxyacetamide
CID 112673035
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795
3-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]benzaldehyde
CID 122476121
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 91259880) is 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is NC(=O)c1cc(Cc2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is WWAYIOHLVKZKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c14-13(15,16)19-10-3-1-8(2-4-10)5-9-6-11(12(17)18)20-7-9/h1-4,6-7H,5H2,(H2,17,18).
What are the key properties of 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91259880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).