3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C30H54N2O10S — CID 166072974

About 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 166072974) has the molecular formula C30H54N2O10S and a molecular weight of 634.83 g/mol. Its IUPAC name is 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 166072974
• Molecular Formula: C30H54N2O10S
• Molecular Weight: 634.83 g/mol
• Exact Mass: 634.35
• IUPAC Name: 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• SMILES: CCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)CC(C2CCCSCCC2)C1=O
• InChI: InChI=1S/C30H54N2O10S/c1-2-36-11-12-38-15-16-40-19-20-42-22-21-41-18-17-39-14-13-37-10-8-31-28(33)7-9-32-29(34)25-27(30(32)35)26-5-3-23-43-24-4-6-26/h26-27H,2-25H2,1H3,(H,31,33)
• InChIKey: VQGFXJJIUCWWOR-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 131.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 26
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.83
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 166072974) is 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)CC(C2CCCSCCC2)C1=O.

What is the InChIKey of 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is VQGFXJJIUCWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O10S/c1-2-36-11-12-38-15-16-40-19-20-42-22-21-41-18-17-39-14-13-37-10-8-31-28(33)7-9-32-29(34)25-27(30(32)35)26-5-3-23-43-24-4-6-26/h26-27H,2-25H2,1H3,(H,31,33).

What are the key properties of 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 634.83 g/mol, XLogP of 1.93, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 166072974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).