2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

C42H39FN8O8S — CID 170705354

About 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 170705354) has the molecular formula C42H39FN8O8S and a molecular weight of 834.89 g/mol. Its IUPAC name is 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 170705354
• Molecular Formula: C42H39FN8O8S
• Molecular Weight: 834.89 g/mol
• Exact Mass: 834.26
• IUPAC Name: 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
• SMILES: Cc1sc(NC(=O)Cc2ccc(F)c(OCCOCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)nc1-c1ccc2c(c1)CCN2C(=O)c1cncn1C
• InChI: InChI=1S/C42H39FN8O8S/c1-23-37(26-4-8-31-25(19-26)11-13-50(31)41(57)33-21-44-22-49(33)2)48-42(60-23)47-36(53)18-24-3-7-30(43)34(17-24)59-16-15-58-14-12-45-27-5-6-28-29(20-27)40(56)51(39(28)55)32-9-10-35(52)46-38(32)54/h3-8,17,19-22,32,45H,9-16,18H2,1-2H3,(H,46,52,54)(H,47,48,53)
• InChIKey: FFHRMMMFDWJPIX-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 194.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.89
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 170705354) is 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)Cc2ccc(F)c(OCCOCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)nc1-c1ccc2c(c1)CCN2C(=O)c1cncn1C.

What is the InChIKey of 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is FFHRMMMFDWJPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39FN8O8S/c1-23-37(26-4-8-31-25(19-26)11-13-50(31)41(57)33-21-44-22-49(33)2)48-42(60-23)47-36(53)18-24-3-7-30(43)34(17-24)59-16-15-58-14-12-45-27-5-6-28-29(20-27)40(56)51(39(28)55)32-9-10-35(52)46-38(32)54/h3-8,17,19-22,32,45H,9-16,18H2,1-2H3,(H,46,52,54)(H,47,48,53).

What are the key properties of 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 834.89 g/mol, XLogP of 4.28, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]-N-[5-methyl-4-[1-(3-methylimidazole-4-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 170705354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).