N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C20H20N4O5S — CID 2517351

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2517351) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
• PubChem CID: 2517351
• Molecular Formula: C20H20N4O5S
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.12
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
• SMILES: CCOc1ccc2nc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1
• InChI: InChI=1S/C20H20N4O5S/c1-2-27-13-4-5-14-15(10-13)23-20(22-14)30-11-18(25)24-19(26)21-12-3-6-16-17(9-12)29-8-7-28-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,23)(H2,21,24,25,26)
• InChIKey: HVSLANOABMBRLE-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 114.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2517351) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is CCOc1ccc2nc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The InChIKey is HVSLANOABMBRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-2-27-13-4-5-14-15(10-13)23-20(22-14)30-11-18(25)24-19(26)21-12-3-6-16-17(9-12)29-8-7-28-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,23)(H2,21,24,25,26).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2517351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).