N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide

C27H30N4O6S — CID 176808523

About N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide

N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide (PubChem CID 176808523) has the molecular formula C27H30N4O6S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide
• PubChem CID: 176808523
• Molecular Formula: C27H30N4O6S
• Molecular Weight: 538.63 g/mol
• Exact Mass: 538.19
• IUPAC Name: N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1cccc(CN2CCC3(CC2)COc2c3ccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1
• InChI: InChI=1S/C27H30N4O6S/c1-38(35,36)29-18-4-2-3-17(13-18)14-30-11-9-27(10-12-30)16-37-24-20-15-31(22-7-8-23(32)28-25(22)33)26(34)19(20)5-6-21(24)27/h2-6,13,22,29H,7-12,14-16H2,1H3,(H,28,32,33)
• InChIKey: AJJKDRLIOQBNKL-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.63
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide?

The IUPAC name of N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide (CID 176808523) is N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CCC3(CC2)COc2c3ccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1.

What is the InChIKey of N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide?

The InChIKey is AJJKDRLIOQBNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O6S/c1-38(35,36)29-18-4-2-3-17(13-18)14-30-11-9-27(10-12-30)16-37-24-20-15-31(22-7-8-23(32)28-25(22)33)26(34)19(20)5-6-21(24)27/h2-6,13,22,29H,7-12,14-16H2,1H3,(H,28,32,33).

What are the key properties of N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide?

N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 538.63 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 176808523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).