N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C16H12Cl2N4O2S — CID 7879349

About N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7879349) has the molecular formula C16H12Cl2N4O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 7879349
• Molecular Formula: C16H12Cl2N4O2S
• Molecular Weight: 395.27 g/mol
• Exact Mass: 394.01
• IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1Cl
• InChI: InChI=1S/C16H12Cl2N4O2S/c1-9-4-5-11(17)14(13(9)18)20-12(23)8-25-16-22-21-15(24-16)10-3-2-6-19-7-10/h2-7H,8H2,1H3,(H,20,23)
• InChIKey: GYCSCTJDWSRKND-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 80.91 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	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7879349) is N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1Cl.

What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

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

What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 395.27 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7879349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).