N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C22H19N3O3S — CID 3956986

About N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3956986) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 3956986
• Molecular Formula: C22H19N3O3S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.11
• IUPAC Name: N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1
• InChI: InChI=1S/C22H19N3O3S/c1-2-27-19-10-6-5-9-18(19)23-20(26)14-29-22-25-24-21(28-22)17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,23,26)
• InChIKey: HVVNLAAPTOTUHM-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3956986) is N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1.

What is the InChIKey of N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is HVVNLAAPTOTUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-2-27-19-10-6-5-9-18(19)23-20(26)14-29-22-25-24-21(28-22)17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,23,26).

What are the key properties of N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3956986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).