2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C24H20N2O3S — CID 41108386

About 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41108386) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 41108386
• Molecular Formula: C24H20N2O3S
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.12
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: Cc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccc4c(c3)OCO4)sc2c1
• InChI: InChI=1S/C24H20N2O3S/c1-16-7-9-19-22(11-16)30-24(25-19)26(14-17-5-3-2-4-6-17)23(27)13-18-8-10-20-21(12-18)29-15-28-20/h2-12H,13-15H2,1H3
• InChIKey: ZLKKAJXLAJAUTD-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 41108386) is 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccc4c(c3)OCO4)sc2c1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is ZLKKAJXLAJAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-16-7-9-19-22(11-16)30-24(25-19)26(14-17-5-3-2-4-6-17)23(27)13-18-8-10-20-21(12-18)29-15-28-20/h2-12H,13-15H2,1H3.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41108386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).