3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide

C17H28N2O6S — CID 58242284

IUPAC3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCCC(=O)CCSC1CC(=O)N(CCC(=O)NCCOCCOC)C1=O
InChIInChI=1S/C17H28N2O6S/c1-3-13(20)5-11-26-14-12-16(22)19(17(14)23)7-4-15(21)18-6-8-25-10-9-24-2/h14H,3-12H2,1-2H3,(H,18,21)
InChIKeyUYGVMYDIUDGSOQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP0.39
Rot. Bonds14

About 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide

3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide (PubChem CID 58242284) has the molecular formula C17H28N2O6S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
PubChem CID58242284
Molecular FormulaC17H28N2O6S
Molecular Weight388.49 g/mol
Exact Mass388.17
IUPAC Name3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCCC(=O)CCSC1CC(=O)N(CCC(=O)NCCOCCOC)C1=O
InChIInChI=1S/C17H28N2O6S/c1-3-13(20)5-11-26-14-12-16(22)19(17(14)23)7-4-15(21)18-6-8-25-10-9-24-2/h14H,3-12H2,1-2H3,(H,18,21)
InChIKeyUYGVMYDIUDGSOQ-UHFFFAOYSA-N
XLogP0.39
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The IUPAC name of 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide (CID 58242284) is 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide.
What is the SMILES notation for 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The canonical SMILES for 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide is CCC(=O)CCSC1CC(=O)N(CCC(=O)NCCOCCOC)C1=O.
What is the InChIKey of 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The InChIKey is UYGVMYDIUDGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6S/c1-3-13(20)5-11-26-14-12-16(22)19(17(14)23)7-4-15(21)18-6-8-25-10-9-24-2/h14H,3-12H2,1-2H3,(H,18,21).
What are the key properties of 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 0.39, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide is sourced from PubChem (CID 58242284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).