7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

C26H23N3O4S — CID 40889997

About 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 40889997) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 40889997
• Molecular Formula: C26H23N3O4S
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.14
• IUPAC Name: 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
• SMILES: CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc4cccc(OCC)c4o3)nc12
• InChI: InChI=1S/C26H23N3O4S/c1-3-31-19-10-6-12-22-23(19)28-26(34-22)29(16-17-8-7-13-27-15-17)25(30)21-14-18-9-5-11-20(32-4-2)24(18)33-21/h5-15H,3-4,16H2,1-2H3
• InChIKey: NSMQTAKJRCHIHJ-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 77.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 40889997) is 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc4cccc(OCC)c4o3)nc12.

What is the InChIKey of 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?

The InChIKey is NSMQTAKJRCHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-3-31-19-10-6-12-22-23(19)28-26(34-22)29(16-17-8-7-13-27-15-17)25(30)21-14-18-9-5-11-20(32-4-2)24(18)33-21/h5-15H,3-4,16H2,1-2H3.

What are the key properties of 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?

7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40889997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).