1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone

C19H20N4O4S2 — CID 78788137

About 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 78788137) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
• PubChem CID: 78788137
• Molecular Formula: C19H20N4O4S2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.09
• IUPAC Name: 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
• SMILES: CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4cccs4)o3)CC2)cc1
• InChI: InChI=1S/C19H20N4O4S2/c1-14(24)15-4-6-16(7-5-15)29(25,26)23-10-8-22(9-11-23)13-18-20-21-19(27-18)17-3-2-12-28-17/h2-7,12H,8-11,13H2,1H3
• InChIKey: VKRUZWVPNXYRQG-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 96.61 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone?

The IUPAC name of 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone (CID 78788137) is 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone.

What is the SMILES notation for 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone?

The canonical SMILES for 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4cccs4)o3)CC2)cc1.

What is the InChIKey of 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone?

The InChIKey is VKRUZWVPNXYRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-14(24)15-4-6-16(7-5-15)29(25,26)23-10-8-22(9-11-23)13-18-20-21-19(27-18)17-3-2-12-28-17/h2-7,12H,8-11,13H2,1H3.

What are the key properties of 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone?

1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 432.53 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 78788137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).