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

C23H25N3O4S — CID 40888163

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

N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 40888163) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
• PubChem CID: 40888163
• Molecular Formula: C23H25N3O4S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.16
• IUPAC Name: N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
• SMILES: CCOc1cccc2cc(C(=O)N(CCN(C)C)c3nc4c(OC)cccc4s3)oc12
• InChI: InChI=1S/C23H25N3O4S/c1-5-29-17-10-6-8-15-14-18(30-21(15)17)22(27)26(13-12-25(2)3)23-24-20-16(28-4)9-7-11-19(20)31-23/h6-11,14H,5,12-13H2,1-4H3
• InChIKey: MOWFHYZVWGKXJO-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 68.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (CID 40888163) is N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)N(CCN(C)C)c3nc4c(OC)cccc4s3)oc12.

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

The InChIKey is MOWFHYZVWGKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-5-29-17-10-6-8-15-14-18(30-21(15)17)22(27)26(13-12-25(2)3)23-24-20-16(28-4)9-7-11-19(20)31-23/h6-11,14H,5,12-13H2,1-4H3.

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

N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).