7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

C24H26N2O6S — CID 40889930

About 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (PubChem CID 40889930) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
• PubChem CID: 40889930
• Molecular Formula: C24H26N2O6S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.15
• IUPAC Name: 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
• SMILES: CCOCCn1/c(=N/C(=O)c2cc3cccc(OCC)c3o2)sc2cc(OC)c(OC)cc21
• InChI: InChI=1S/C24H26N2O6S/c1-5-30-11-10-26-16-13-18(28-3)19(29-4)14-21(16)33-24(26)25-23(27)20-12-15-8-7-9-17(31-6-2)22(15)32-20/h7-9,12-14H,5-6,10-11H2,1-4H3/b25-24-
• InChIKey: LFIKZGQCEWZVCX-IZHYLOQSSA-N
• XLogP: 4.64
• TPSA: 84.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
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 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The IUPAC name of 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (CID 40889930) is 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is CCOCCn1/c(=N/C(=O)c2cc3cccc(OCC)c3o2)sc2cc(OC)c(OC)cc21.

What is the InChIKey of 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The InChIKey is LFIKZGQCEWZVCX-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-5-30-11-10-26-16-13-18(28-3)19(29-4)14-21(16)33-24(26)25-23(27)20-12-15-8-7-9-17(31-6-2)22(15)32-20/h7-9,12-14H,5-6,10-11H2,1-4H3/b25-24-.

What are the key properties of 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40889930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).