N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C13H22N2O4S — CID 143915553

IUPACN-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(SCC)C1=O
InChIInChI=1S/C13H22N2O4S/c1-3-19-8-6-14-11(16)5-7-15-12(17)9-10(13(15)18)20-4-2/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyGWSNWWVFGQQFKL-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.41
Rot. Bonds9

About N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 143915553) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID143915553
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(SCC)C1=O
InChIInChI=1S/C13H22N2O4S/c1-3-19-8-6-14-11(16)5-7-15-12(17)9-10(13(15)18)20-4-2/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyGWSNWWVFGQQFKL-UHFFFAOYSA-N
XLogP0.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 2887746
3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
CID 134840045
[1-[3-(2-Ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
CID 59335515
[1-[4-(2-Ethoxyethylamino)-4-oxobutyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
CID 59356233
[1-[3-(2-Methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
CID 178000247
2-(2-Methyl-1,3-thiazolidin-4-yl)-1-morpholin-4-ylethanone
CID 138454900
2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
CID 20720035
3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 20720037
N-butyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 57552378
3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[3-oxo-3-(phosphanyldiazenyl)propoxy]ethyl]propanamide
CID 57777124
N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58005091
N-[2-(2-methoxyethoxy)ethyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58005092

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 143915553) is N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCOCCNC(=O)CCN1C(=O)CC(SCC)C1=O.
What is the InChIKey of N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is GWSNWWVFGQQFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-19-8-6-14-11(16)5-7-15-12(17)9-10(13(15)18)20-4-2/h10H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 302.40 g/mol, XLogP of 0.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 143915553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).