N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide

C16H12Cl2N4O2S — CID 2522652

About N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide

N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (PubChem CID 2522652) has the molecular formula C16H12Cl2N4O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• PubChem CID: 2522652
• Molecular Formula: C16H12Cl2N4O2S
• Molecular Weight: 395.27 g/mol
• Exact Mass: 394.01
• IUPAC Name: N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• SMILES: CC(=O)c1ccccc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
• InChI: InChI=1S/C16H12Cl2N4O2S/c1-9(23)11-4-2-3-5-13(11)19-14(24)8-25-16-21-20-15-12(18)6-10(17)7-22(15)16/h2-7H,8H2,1H3,(H,19,24)
• InChIKey: QDBWVCAUVKLEKG-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.27
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (CID 2522652) is N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is CC(=O)c1ccccc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12.

What is the InChIKey of N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The InChIKey is QDBWVCAUVKLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2S/c1-9(23)11-4-2-3-5-13(11)19-14(24)8-25-16-21-20-15-12(18)6-10(17)7-22(15)16/h2-7H,8H2,1H3,(H,19,24).

What are the key properties of N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide has a molecular weight of 395.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2522652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).