2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

C22H20N2O3S — CID 43008375

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 43008375) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
• PubChem CID: 43008375
• Molecular Formula: C22H20N2O3S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.12
• IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
• SMILES: O=C(CSc1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccn1
• InChI: InChI=1S/C22H20N2O3S/c25-21(15-28-17-9-10-19-20(14-17)27-13-12-26-19)24-22(16-6-2-1-3-7-16)18-8-4-5-11-23-18/h1-11,14,22H,12-13,15H2,(H,24,25)
• InChIKey: GLJZGDRJJGNPFJ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?

The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 43008375) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?

The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is O=C(CSc1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccn1.

What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?

The InChIKey is GLJZGDRJJGNPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-21(15-28-17-9-10-19-20(14-17)27-13-12-26-19)24-22(16-6-2-1-3-7-16)18-8-4-5-11-23-18/h1-11,14,22H,12-13,15H2,(H,24,25).

What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 43008375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).