4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide

C19H21N5O4S2 — CID 56538461

About 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide

4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 56538461) has the molecular formula C19H21N5O4S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide
• PubChem CID: 56538461
• Molecular Formula: C19H21N5O4S2
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.10
• IUPAC Name: 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1
• InChI: InChI=1S/C19H21N5O4S2/c20-30(26,27)15-5-3-14(4-6-15)12-18(25)24-9-7-23(8-10-24)13-17-21-19(22-28-17)16-2-1-11-29-16/h1-6,11H,7-10,12-13H2,(H2,20,26,27)
• InChIKey: ZSNUMYBMHYXKNS-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 122.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide (CID 56538461) is 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide.

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

The canonical SMILES for 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1.

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

The InChIKey is ZSNUMYBMHYXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S2/c20-30(26,27)15-5-3-14(4-6-15)12-18(25)24-9-7-23(8-10-24)13-17-21-19(22-28-17)16-2-1-11-29-16/h1-6,11H,7-10,12-13H2,(H2,20,26,27).

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

4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 447.54 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 56538461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).