2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide

C14H24N2O7S — CID 71581754

IUPAC2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCOCCOCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C14H24N2O7S/c15-12(17)10-23-8-7-22-6-5-21-4-3-20-2-1-16-13(18)9-11(24)14(16)19/h11,24H,1-10H2,(H2,15,17)
InChIKeyUXZOTCAZMUICBR-UHFFFAOYSA-N
MW364.42 g/mol
LogP-1.40
Rot. Bonds14

About 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide

2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 71581754) has the molecular formula C14H24N2O7S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
PubChem CID71581754
Molecular FormulaC14H24N2O7S
Molecular Weight364.42 g/mol
Exact Mass364.13
IUPAC Name2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCOCCOCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C14H24N2O7S/c15-12(17)10-23-8-7-22-6-5-21-4-3-20-2-1-16-13(18)9-11(24)14(16)19/h11,24H,1-10H2,(H2,15,17)
InChIKeyUXZOTCAZMUICBR-UHFFFAOYSA-N
XLogP-1.40
TPSA117.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890
ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 176682927
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide
CID 106236677
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide
CID 106236681
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 170045082
6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanal
CID 139380902

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide (CID 71581754) is 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide is NC(=O)COCCOCCOCCOCCN1C(=O)CC(S)C1=O.
What is the InChIKey of 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is UXZOTCAZMUICBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O7S/c15-12(17)10-23-8-7-22-6-5-21-4-3-20-2-1-16-13(18)9-11(24)14(16)19/h11,24H,1-10H2,(H2,15,17).
What are the key properties of 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 364.42 g/mol, XLogP of -1.40, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 71581754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).