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

C29H29N5O7S — CID 177161265

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

2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 177161265) has the molecular formula C29H29N5O7S and a molecular weight of 591.65 g/mol. Its IUPAC name is 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 177161265
• Molecular Formula: C29H29N5O7S
• Molecular Weight: 591.65 g/mol
• Exact Mass: 591.18
• IUPAC Name: 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: Cc1cnc(NC(=O)Cc2cccc(OCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)s1
• InChI: InChI=1S/C29H29N5O7S/c1-17-16-31-29(42-17)33-24(36)15-18-4-2-5-19(14-18)41-13-12-40-11-10-30-21-7-3-6-20-25(21)28(39)34(27(20)38)22-8-9-23(35)32-26(22)37/h2-7,14,16,22,30H,8-13,15H2,1H3,(H,31,33,36)(H,32,35,37)
• InChIKey: SNWNAQTZHWKWFP-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 156.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.65
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 177161265) is 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-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-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2cccc(OCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)s1.

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

The InChIKey is SNWNAQTZHWKWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O7S/c1-17-16-31-29(42-17)33-24(36)15-18-4-2-5-19(14-18)41-13-12-40-11-10-30-21-7-3-6-20-25(21)28(39)34(27(20)38)22-8-9-23(35)32-26(22)37/h2-7,14,16,22,30H,8-13,15H2,1H3,(H,31,33,36)(H,32,35,37).

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

2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 591.65 g/mol, XLogP of 2.54, 12 rotatable bonds, 3 hydrogen bond donors, and 10 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-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 177161265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).