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

C25H27N3O4S — CID 29195171

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

7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 29195171) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
• PubChem CID: 29195171
• Molecular Formula: C25H27N3O4S
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.17
• IUPAC Name: 7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)N(CCCN3CCOCC3)c3nc4ccc(C)cc4s3)oc12
• InChI: InChI=1S/C25H27N3O4S/c1-17-7-8-19-22(15-17)33-25(26-19)28(10-4-9-27-11-13-31-14-12-27)24(29)21-16-18-5-3-6-20(30-2)23(18)32-21/h3,5-8,15-16H,4,9-14H2,1-2H3
• InChIKey: ROIACXGFPURJAA-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 68.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (CID 29195171) is 7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

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

The canonical SMILES for 7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N(CCCN3CCOCC3)c3nc4ccc(C)cc4s3)oc12.

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

The InChIKey is ROIACXGFPURJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17-7-8-19-22(15-17)33-25(26-19)28(10-4-9-27-11-13-31-14-12-27)24(29)21-16-18-5-3-6-20(30-2)23(18)32-21/h3,5-8,15-16H,4,9-14H2,1-2H3.

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

7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 29195171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).