2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide

C25H40N4O4S — CID 55440149

About 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide (PubChem CID 55440149) has the molecular formula C25H40N4O4S and a molecular weight of 492.69 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide
• PubChem CID: 55440149
• Molecular Formula: C25H40N4O4S
• Molecular Weight: 492.69 g/mol
• Exact Mass: 492.28
• IUPAC Name: 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide
• SMILES: Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(C)c1C
• InChI: InChI=1S/C25H40N4O4S/c1-18-19(2)21(4)25(22(5)20(18)3)34(32,33)26-10-9-23(30)29-15-13-27(14-16-29)17-24(31)28-11-7-6-8-12-28/h26H,6-17H2,1-5H3
• InChIKey: UFAJJLJCYOKSKB-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.69
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide?

The IUPAC name of 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide (CID 55440149) is 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide.

What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide?

The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(C)c1C.

What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide?

The InChIKey is UFAJJLJCYOKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O4S/c1-18-19(2)21(4)25(22(5)20(18)3)34(32,33)26-10-9-23(30)29-15-13-27(14-16-29)17-24(31)28-11-7-6-8-12-28/h26H,6-17H2,1-5H3.

What are the key properties of 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide?

2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide has a molecular weight of 492.69 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 55440149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).