2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

C25H24N2O3S — CID 17122726

About 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 17122726) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
• PubChem CID: 17122726
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
• SMILES: CCOCCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
• InChI: InChI=1S/C25H24N2O3S/c1-3-29-14-15-30-22-7-5-4-6-20(22)24(28)26-19-11-9-18(10-12-19)25-27-21-13-8-17(2)16-23(21)31-25/h4-13,16H,3,14-15H2,1-2H3,(H,26,28)
• InChIKey: CGNJRSQLEJTODX-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

The IUPAC name of 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (CID 17122726) is 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

The canonical SMILES for 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is CCOCCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1.

What is the InChIKey of 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

The InChIKey is CGNJRSQLEJTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-29-14-15-30-22-7-5-4-6-20(22)24(28)26-19-11-9-18(10-12-19)25-27-21-13-8-17(2)16-23(21)31-25/h4-13,16H,3,14-15H2,1-2H3,(H,26,28).

What are the key properties of 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?

2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 432.55 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17122726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).