N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide

C26H26N2O3S — CID 16849749

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16849749) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 16849749
• Molecular Formula: C26H26N2O3S
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.17
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
• SMILES: CCOc1ccc2nc(N(CC3CCCO3)C(=O)Cc3ccc4ccccc4c3)sc2c1
• InChI: InChI=1S/C26H26N2O3S/c1-2-30-21-11-12-23-24(16-21)32-26(27-23)28(17-22-8-5-13-31-22)25(29)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14,16,22H,2,5,8,13,15,17H2,1H3
• InChIKey: BSHDHNCVAZKXGJ-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.57
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide (CID 16849749) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide.

What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide is CCOc1ccc2nc(N(CC3CCCO3)C(=O)Cc3ccc4ccccc4c3)sc2c1.

What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

The InChIKey is BSHDHNCVAZKXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-2-30-21-11-12-23-24(16-21)32-26(27-23)28(17-22-8-5-13-31-22)25(29)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14,16,22H,2,5,8,13,15,17H2,1H3.

What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 446.57 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16849749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).