N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide

C26H21N3O2S — CID 43967103

About N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide

N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43967103) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 43967103
• Molecular Formula: C26H21N3O2S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.14
• IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1cccc2sc(N(Cc3cccnc3)C(=O)COc3ccc4ccccc4c3)nc12
• InChI: InChI=1S/C26H21N3O2S/c1-18-6-4-10-23-25(18)28-26(32-23)29(16-19-7-5-13-27-15-19)24(30)17-31-22-12-11-20-8-2-3-9-21(20)14-22/h2-15H,16-17H2,1H3
• InChIKey: VBARLGAYVJOEQB-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide (CID 43967103) is N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide.

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

The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide is Cc1cccc2sc(N(Cc3cccnc3)C(=O)COc3ccc4ccccc4c3)nc12.

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

The InChIKey is VBARLGAYVJOEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c1-18-6-4-10-23-25(18)28-26(32-23)29(16-19-7-5-13-27-15-19)24(30)17-31-22-12-11-20-8-2-3-9-21(20)14-22/h2-15H,16-17H2,1H3.

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

N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43967103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).