N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide

C28H34N8O7S — CID 156528311

About N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide (PubChem CID 156528311) has the molecular formula C28H34N8O7S and a molecular weight of 626.70 g/mol. Its IUPAC name is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide
• PubChem CID: 156528311
• Molecular Formula: C28H34N8O7S
• Molecular Weight: 626.70 g/mol
• Exact Mass: 626.23
• IUPAC Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide
• SMILES: NCOCCOCCOCCNC(=O)CNc1csc2ncnc(Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c12
• InChI: InChI=1S/C28H34N8O7S/c29-15-43-10-9-42-8-7-41-6-5-30-23(38)12-31-20-14-44-27-24(20)25(32-16-33-27)34-18-1-2-19-17(11-18)13-36(28(19)40)21-3-4-22(37)35-26(21)39/h1-2,11,14,16,21,31H,3-10,12-13,15,29H2,(H,30,38)(H,32,33,34)(H,35,37,39)
• InChIKey: MWLYNDSGUUBZSX-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 199.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.70
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide?

The IUPAC name of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide (CID 156528311) is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide.

What is the SMILES notation for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide?

The canonical SMILES for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide is NCOCCOCCOCCNC(=O)CNc1csc2ncnc(Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c12.

What is the InChIKey of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide?

The InChIKey is MWLYNDSGUUBZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O7S/c29-15-43-10-9-42-8-7-41-6-5-30-23(38)12-31-20-14-44-27-24(20)25(32-16-33-27)34-18-1-2-19-17(11-18)13-36(28(19)40)21-3-4-22(37)35-26(21)39/h1-2,11,14,16,21,31H,3-10,12-13,15,29H2,(H,30,38)(H,32,33,34)(H,35,37,39).

What are the key properties of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide?

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide has a molecular weight of 626.70 g/mol, XLogP of 0.69, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]thieno[2,3-d]pyrimidin-5-yl]amino]acetamide is sourced from PubChem (CID 156528311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).