N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

C19H20N4O4S — CID 55410008

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (PubChem CID 55410008) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
• PubChem CID: 55410008
• Molecular Formula: C19H20N4O4S
• Molecular Weight: 400.46 g/mol
• Exact Mass: 400.12
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc(-c2ccsc2)no1
• InChI: InChI=1S/C19H20N4O4S/c1-2-23(11-18-21-19(22-27-18)13-5-8-28-12-13)10-17(24)20-14-3-4-15-16(9-14)26-7-6-25-15/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,20,24)
• InChIKey: PIWAUBKSGUJVLQ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.46
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (CID 55410008) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc(-c2ccsc2)no1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?

The InChIKey is PIWAUBKSGUJVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-2-23(11-18-21-19(22-27-18)13-5-8-28-12-13)10-17(24)20-14-3-4-15-16(9-14)26-7-6-25-15/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,20,24).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide has a molecular weight of 400.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 55410008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).