4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

C12H8F3NOS — CID 2740065

IUPAC4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)10-8(6-9(18-10)11(16)17)7-4-2-1-3-5-7/h1-6H,(H2,16,17)
InChIKeyZDENDPJSQUYNRM-UHFFFAOYSA-N
MW271.26 g/mol
LogP3.53
Rot. Bonds2

About 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 2740065) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID2740065
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)10-8(6-9(18-10)11(16)17)7-4-2-1-3-5-7/h1-6H,(H2,16,17)
InChIKeyZDENDPJSQUYNRM-UHFFFAOYSA-N
XLogP3.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 2740065) is 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is ZDENDPJSQUYNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)10-8(6-9(18-10)11(16)17)7-4-2-1-3-5-7/h1-6H,(H2,16,17).
What are the key properties of 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 2740065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).