3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide

C28H28N2O4S — CID 58103361

About 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide

3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 58103361) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide
• PubChem CID: 58103361
• Molecular Formula: C28H28N2O4S
• Molecular Weight: 488.61 g/mol
• Exact Mass: 488.18
• IUPAC Name: 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(C(=O)NCCc4cccs4)c3)n2)cc1OC
• InChI: InChI=1S/C28H28N2O4S/c1-32-25-12-11-20(18-26(25)33-2)14-16-34-27-10-4-9-24(30-27)21-6-3-7-22(19-21)28(31)29-15-13-23-8-5-17-35-23/h3-12,17-19H,13-16H2,1-2H3,(H,29,31)
• InChIKey: ROBJGRASIRFPQC-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.61
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide?

The IUPAC name of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide (CID 58103361) is 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide.

What is the SMILES notation for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide?

The canonical SMILES for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide is COc1ccc(CCOc2cccc(-c3cccc(C(=O)NCCc4cccs4)c3)n2)cc1OC.

What is the InChIKey of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide?

The InChIKey is ROBJGRASIRFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-32-25-12-11-20(18-26(25)33-2)14-16-34-27-10-4-9-24(30-27)21-6-3-7-22(19-21)28(31)29-15-13-23-8-5-17-35-23/h3-12,17-19H,13-16H2,1-2H3,(H,29,31).

What are the key properties of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide?

3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 488.61 g/mol, XLogP of 5.42, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 58103361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).