N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

C23H24N2O3S — CID 24529752

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24529752) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 24529752
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
• SMILES: CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccc(C)cc3)n1)OC(C)C2
• InChI: InChI=1S/C23H24N2O3S/c1-4-27-21-10-17-9-15(3)28-20(17)12-19(21)25-22(26)11-18-13-29-23(24-18)16-7-5-14(2)6-8-16/h5-8,10,12-13,15H,4,9,11H2,1-3H3,(H,25,26)
• InChIKey: BZJGEQSWSLEPLY-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.02
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-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 24529752) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccc(C)cc3)n1)OC(C)C2.

What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is BZJGEQSWSLEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-4-27-21-10-17-9-15(3)28-20(17)12-19(21)25-22(26)11-18-13-29-23(24-18)16-7-5-14(2)6-8-16/h5-8,10,12-13,15H,4,9,11H2,1-3H3,(H,25,26).

What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 5.02, 6 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-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24529752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).