2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate

C23H20N2O6S — CID 86290373

About 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate

2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 86290373) has the molecular formula C23H20N2O6S and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate
• PubChem CID: 86290373
• Molecular Formula: C23H20N2O6S
• Molecular Weight: 452.49 g/mol
• Exact Mass: 452.10
• IUPAC Name: 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate
• SMILES: COCCOC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1
• InChI: InChI=1S/C23H20N2O6S/c1-14-7-9-29-20(14)22(26)25-15-4-3-5-16(12-15)31-18-6-8-24-17-13-19(32-21(17)18)23(27)30-11-10-28-2/h3-9,12-13H,10-11H2,1-2H3,(H,25,26)
• InChIKey: IIVHCRGLTORKNX-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.49
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate?

The IUPAC name of 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate (CID 86290373) is 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate.

What is the SMILES notation for 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate?

The canonical SMILES for 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate is COCCOC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1.

What is the InChIKey of 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate?

The InChIKey is IIVHCRGLTORKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S/c1-14-7-9-29-20(14)22(26)25-15-4-3-5-16(12-15)31-18-6-8-24-17-13-19(32-21(17)18)23(27)30-11-10-28-2/h3-9,12-13H,10-11H2,1-2H3,(H,25,26).

What are the key properties of 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate?

2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 452.49 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 86290373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).