N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride

C23H26ClN3O3S — CID 44916579

About N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 44916579) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
• PubChem CID: 44916579
• Molecular Formula: C23H26ClN3O3S
• Molecular Weight: 460.00 g/mol
• Exact Mass: 459.14
• IUPAC Name: N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
• SMILES: CCOc1cccc2cc(C(=O)N(CCN(C)C)c3nc4ccc(C)cc4s3)oc12.Cl
• InChI: InChI=1S/C23H25N3O3S.ClH/c1-5-28-18-8-6-7-16-14-19(29-21(16)18)22(27)26(12-11-25(3)4)23-24-17-10-9-15(2)13-20(17)30-23;/h6-10,13-14H,5,11-12H2,1-4H3;1H
• InChIKey: XMUDGRCQLWZKSF-UHFFFAOYSA-N
• XLogP: 5.38
• 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	460.00
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?

The IUPAC name of N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride (CID 44916579) is N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride is CCOc1cccc2cc(C(=O)N(CCN(C)C)c3nc4ccc(C)cc4s3)oc12.Cl.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?

The InChIKey is XMUDGRCQLWZKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S.ClH/c1-5-28-18-8-6-7-16-14-19(29-21(16)18)22(27)26(12-11-25(3)4)23-24-17-10-9-15(2)13-20(17)30-23;/h6-10,13-14H,5,11-12H2,1-4H3;1H.

What are the key properties of N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?

N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 460.00 g/mol, XLogP of 5.38, 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]-7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 44916579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).