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

C23H25N3O3S — CID 40887994

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

N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 40887994) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
• PubChem CID: 40887994
• Molecular Formula: C23H25N3O3S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)N(CCN(C)C)c3nc4cc(C)cc(C)c4s3)oc12
• InChI: InChI=1S/C23H25N3O3S/c1-14-11-15(2)21-17(12-14)24-23(30-21)26(10-9-25(3)4)22(27)19-13-16-7-6-8-18(28-5)20(16)29-19/h6-8,11-13H,9-10H2,1-5H3
• InChIKey: JMJYVBWCVYJOPQ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 58.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide (CID 40887994) is N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N(CCN(C)C)c3nc4cc(C)cc(C)c4s3)oc12.

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

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

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

N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.88, 6 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-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40887994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).