N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide

C24H27N3O3S — CID 40888229

About N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide (PubChem CID 40888229) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide
• PubChem CID: 40888229
• Molecular Formula: C24H27N3O3S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.18
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide
• SMILES: CCOc1cccc2cc(C(=O)N(CCN(C)C)c3nc4c(C)c(C)ccc4s3)oc12
• InChI: InChI=1S/C24H27N3O3S/c1-6-29-18-9-7-8-17-14-19(30-22(17)18)23(28)27(13-12-26(4)5)24-25-21-16(3)15(2)10-11-20(21)31-24/h7-11,14H,6,12-13H2,1-5H3
• InChIKey: ZXDKTNVERJQPMQ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 58.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide (CID 40888229) is N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)N(CCN(C)C)c3nc4c(C)c(C)ccc4s3)oc12.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide?

The InChIKey is ZXDKTNVERJQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-6-29-18-9-7-8-17-14-19(30-22(17)18)23(28)27(13-12-26(4)5)24-25-21-16(3)15(2)10-11-20(21)31-24/h7-11,14H,6,12-13H2,1-5H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide?

N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).