About N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 155912342) has the molecular formula C16H11FN2O2S
and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide |
| PubChem CID | 155912342 |
| Molecular Formula | C16H11FN2O2S |
| Molecular Weight | 314.34 g/mol |
| Exact Mass | 314.05 |
| IUPAC Name | N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide |
| SMILES | O=C(Nc1cccnc1Oc1ccccc1F)c1cccs1 |
| InChI | InChI=1S/C16H11FN2O2S/c17-11-5-1-2-7-13(11)21-16-12(6-3-9-18-16)19-15(20)14-8-4-10-22-14/h1-10H,(H,19,20) |
| InChIKey | YKWWCFSEBWDKRP-UHFFFAOYSA-N |
| XLogP | 4.33 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 314.34 |
| LogP ≤ 5 | 4.33 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide (CID 155912342) is N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1cccnc1Oc1ccccc1F)c1cccs1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is YKWWCFSEBWDKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-11-5-1-2-7-13(11)21-16-12(6-3-9-18-16)19-15(20)14-8-4-10-22-14/h1-10H,(H,19,20).
What are the key properties of N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide?
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 155912342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).