N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

C22H22N2O3S — CID 71900969

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 71900969) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
• PubChem CID: 71900969
• Molecular Formula: C22H22N2O3S
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.14
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1ccc(-c3cccs3)nc1C)OC(C)C2
• InChI: InChI=1S/C22H22N2O3S/c1-4-26-20-11-15-10-13(2)27-19(15)12-18(20)24-22(25)16-7-8-17(23-14(16)3)21-6-5-9-28-21/h5-9,11-13H,4,10H2,1-3H3,(H,24,25)
• InChIKey: CGVATEYQWLREOL-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 71900969) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is CCOc1cc2c(cc1NC(=O)c1ccc(-c3cccs3)nc1C)OC(C)C2.

What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?

The InChIKey is CGVATEYQWLREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-4-26-20-11-15-10-13(2)27-19(15)12-18(20)24-22(25)16-7-8-17(23-14(16)3)21-6-5-9-28-21/h5-9,11-13H,4,10H2,1-3H3,(H,24,25).

What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 71900969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).