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

C23H24N2O3S2 — CID 74649315

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

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 74649315) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
• PubChem CID: 74649315
• Molecular Formula: C23H24N2O3S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.12
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1ccc(SCc3csc(C)n3)cc1)OC(C)C2
• InChI: InChI=1S/C23H24N2O3S2/c1-4-27-22-10-17-9-14(2)28-21(17)11-20(22)25-23(26)16-5-7-19(8-6-16)30-13-18-12-29-15(3)24-18/h5-8,10-12,14H,4,9,13H2,1-3H3,(H,25,26)
• InChIKey: UFKASDNAFOXQEL-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 74649315) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

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

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is CCOc1cc2c(cc1NC(=O)c1ccc(SCc3csc(C)n3)cc1)OC(C)C2.

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

The InChIKey is UFKASDNAFOXQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-4-27-22-10-17-9-14(2)28-21(17)11-20(22)25-23(26)16-5-7-19(8-6-16)30-13-18-12-29-15(3)24-18/h5-8,10-12,14H,4,9,13H2,1-3H3,(H,25,26).

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

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 74649315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).