2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide

C25H23N3O2S — CID 3509663

About 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide

2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide (PubChem CID 3509663) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide
• PubChem CID: 3509663
• Molecular Formula: C25H23N3O2S
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.15
• IUPAC Name: 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide
• SMILES: CC(NC(=O)Cc1ccc(Oc2nc(Cc3ccccc3)ns2)cc1)c1ccccc1
• InChI: InChI=1S/C25H23N3O2S/c1-18(21-10-6-3-7-11-21)26-24(29)17-20-12-14-22(15-13-20)30-25-27-23(28-31-25)16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H,26,29)
• InChIKey: AYQBQCWENOWNAC-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide?

The IUPAC name of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide (CID 3509663) is 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide.

What is the SMILES notation for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide?

The canonical SMILES for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ccc(Oc2nc(Cc3ccccc3)ns2)cc1)c1ccccc1.

What is the InChIKey of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide?

The InChIKey is AYQBQCWENOWNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18(21-10-6-3-7-11-21)26-24(29)17-20-12-14-22(15-13-20)30-25-27-23(28-31-25)16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H,26,29).

What are the key properties of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide?

2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3509663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).