3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

C16H10F3NO2S — CID 901311

IUPAC3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1O
InChIInChI=1S/C16H10F3NO2S/c17-16(18,19)9-4-3-5-10(8-9)20-15(22)14-13(21)11-6-1-2-7-12(11)23-14/h1-8,21H,(H,20,22)
InChIKeyQYMUBXIHFGGQDX-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.88
Rot. Bonds2

About 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 901311) has the molecular formula C16H10F3NO2S and a molecular weight of 337.32 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID901311
Molecular FormulaC16H10F3NO2S
Molecular Weight337.32 g/mol
Exact Mass337.04
IUPAC Name3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1O
InChIInChI=1S/C16H10F3NO2S/c17-16(18,19)9-4-3-5-10(8-9)20-15(22)14-13(21)11-6-1-2-7-12(11)23-14/h1-8,21H,(H,20,22)
InChIKeyQYMUBXIHFGGQDX-UHFFFAOYSA-N
XLogP4.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide (CID 901311) is 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1O.
What is the InChIKey of 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is QYMUBXIHFGGQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2S/c17-16(18,19)9-4-3-5-10(8-9)20-15(22)14-13(21)11-6-1-2-7-12(11)23-14/h1-8,21H,(H,20,22).
What are the key properties of 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 337.32 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 901311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).