N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide

C₁₉H₂₂FNO₂S — CID 122141275

About N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide

N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide (PubChem CID 122141275) has the molecular formula C₁₉H₂₂FNO₂S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide
• PubChem CID: 122141275
• Molecular Formula: C₁₉H₂₂FNO₂S
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.14
• IUPAC Name: N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide
• SMILES: Cc1scc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1C
• InChI: InChI=1S/C19H22FNO2S/c1-12-13(2)24-11-17(12)19(22)21(3)16-8-9-23-18(10-16)14-4-6-15(20)7-5-14/h4-7,11,16,18H,8-10H2,1-3H3
• InChIKey: PYIYJGYTCRDEIV-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?

The IUPAC name of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide (CID 122141275) is N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide.

What is the SMILES notation for N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?

The canonical SMILES for N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide is Cc1scc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1C.

What is the InChIKey of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?

The InChIKey is PYIYJGYTCRDEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-12-13(2)24-11-17(12)19(22)21(3)16-8-9-23-18(10-16)14-4-6-15(20)7-5-14/h4-7,11,16,18H,8-10H2,1-3H3.

What are the key properties of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?

N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 122141275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122141275 — identifiers, structure, computed properties (public domain)

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