7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

C26H29N3O4S — CID 29195248

About 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 29195248) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
• PubChem CID: 29195248
• Molecular Formula: C26H29N3O4S
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.19
• IUPAC Name: 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
• SMILES: CCOc1cccc2cc(C(=O)N(CCCN3CCOCC3)c3nc4ccc(C)cc4s3)oc12
• InChI: InChI=1S/C26H29N3O4S/c1-3-32-21-7-4-6-19-17-22(33-24(19)21)25(30)29(11-5-10-28-12-14-31-15-13-28)26-27-20-9-8-18(2)16-23(20)34-26/h4,6-9,16-17H,3,5,10-15H2,1-2H3
• InChIKey: WUPBJHOAXBRUAK-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 68.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?

The IUPAC name of 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (CID 29195248) is 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)N(CCCN3CCOCC3)c3nc4ccc(C)cc4s3)oc12.

What is the InChIKey of 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?

The InChIKey is WUPBJHOAXBRUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-3-32-21-7-4-6-19-17-22(33-24(19)21)25(30)29(11-5-10-28-12-14-31-15-13-28)26-27-20-9-8-18(2)16-23(20)34-26/h4,6-9,16-17H,3,5,10-15H2,1-2H3.

What are the key properties of 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?

7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 29195248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).