N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C24H23N3O3S — CID 43986725

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43986725) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 43986725
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: CCOc1cccc2sc(N(Cc3ccccn3)C(=O)COc3cccc(C)c3)nc12
• InChI: InChI=1S/C24H23N3O3S/c1-3-29-20-11-7-12-21-23(20)26-24(31-21)27(15-18-9-4-5-13-25-18)22(28)16-30-19-10-6-8-17(2)14-19/h4-14H,3,15-16H2,1-2H3
• InChIKey: WPOATLMEBPMBMK-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 43986725) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is CCOc1cccc2sc(N(Cc3ccccn3)C(=O)COc3cccc(C)c3)nc12.

What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is WPOATLMEBPMBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-29-20-11-7-12-21-23(20)26-24(31-21)27(15-18-9-4-5-13-25-18)22(28)16-30-19-10-6-8-17(2)14-19/h4-14H,3,15-16H2,1-2H3.

What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43986725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).