N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide

C44H54N8O10S2 — CID 166695006

About N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide

N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide (PubChem CID 166695006) has the molecular formula C44H54N8O10S2 and a molecular weight of 919.10 g/mol. Its IUPAC name is N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide
• PubChem CID: 166695006
• Molecular Formula: C44H54N8O10S2
• Molecular Weight: 919.10 g/mol
• Exact Mass: 918.34
• IUPAC Name: N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide
• SMILES: CS(=O)(=O)N1CCC(C(=O)NCC(=O)NC2NC(c3cccc(C4CCNC(C5(C(=O)N6CC(CCOc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C4)c3)CS2)C1
• InChI: InChI=1S/C44H54N8O10S2/c1-64(60,61)51-16-11-29(23-51)38(55)46-20-36(54)49-43-47-31(24-63-43)28-5-2-4-26(18-28)27-10-15-45-34(19-27)44(13-14-44)42(59)50-21-25(22-50)12-17-62-33-7-3-6-30-37(33)41(58)52(40(30)57)32-8-9-35(53)48-39(32)56/h2-7,18,25,27,29,31-32,34,43,45,47H,8-17,19-24H2,1H3,(H,46,55)(H,49,54)(H,48,53,56)
• InChIKey: WWHNONUHTMAYFL-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 232.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.10
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

The IUPAC name of N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide (CID 166695006) is N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide.

What is the SMILES notation for N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

The canonical SMILES for N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC(=O)NC2NC(c3cccc(C4CCNC(C5(C(=O)N6CC(CCOc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C4)c3)CS2)C1.

What is the InChIKey of N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

The InChIKey is WWHNONUHTMAYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N8O10S2/c1-64(60,61)51-16-11-29(23-51)38(55)46-20-36(54)49-43-47-31(24-63-43)28-5-2-4-26(18-28)27-10-15-45-34(19-27)44(13-14-44)42(59)50-21-25(22-50)12-17-62-33-7-3-6-30-37(33)41(58)52(40(30)57)32-8-9-35(53)48-39(32)56/h2-7,18,25,27,29,31-32,34,43,45,47H,8-17,19-24H2,1H3,(H,46,55)(H,49,54)(H,48,53,56).

What are the key properties of N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 919.10 g/mol, XLogP of 0.81, 14 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[3-[2-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]azetidine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166695006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).