2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide

C11H19N2O5PS — CID 20720035

IUPAC2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
SMILESCOCCOCCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C11H19N2O5PS/c1-17-4-5-18-3-2-13-10(15)6-8(11(13)16)20-7-9(14)12-19/h8H,2-7,19H2,1H3,(H,12,14)
InChIKeyLDAUZFAACLBHMM-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.58
Rot. Bonds9

About 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide

2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide (PubChem CID 20720035) has the molecular formula C11H19N2O5PS and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
PubChem CID20720035
Molecular FormulaC11H19N2O5PS
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
SMILESCOCCOCCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C11H19N2O5PS/c1-17-4-5-18-3-2-13-10(15)6-8(11(13)16)20-7-9(14)12-19/h8H,2-7,19H2,1H3,(H,12,14)
InChIKeyLDAUZFAACLBHMM-UHFFFAOYSA-N
XLogP-0.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 20720037
N-[2-(2-methoxyethoxy)ethyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58005092
3-[2,5-dioxo-3-(3-oxopentylsulfanyl)pyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 58242284
1-[2-(2-Methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione
CID 58663421
3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide
CID 58785855
2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
CID 58785860
N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58841283
N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 59301267
2-methoxy-N-[2-[2-[2-[[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 59331209
3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 60019025
3-[2,5-dioxo-3-[2-(phosphanylamino)ethylsulfanyl]pyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide
CID 60103530
1-[2-[2-(2-Propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
CID 66594944

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
The IUPAC name of 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide (CID 20720035) is 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide.
What is the SMILES notation for 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
The canonical SMILES for 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide is COCCOCCN1C(=O)CC(SCC(=O)NP)C1=O.
What is the InChIKey of 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
The InChIKey is LDAUZFAACLBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O5PS/c1-17-4-5-18-3-2-13-10(15)6-8(11(13)16)20-7-9(14)12-19/h8H,2-7,19H2,1H3,(H,12,14).
What are the key properties of 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide has a molecular weight of 322.32 g/mol, XLogP of -0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide is sourced from PubChem (CID 20720035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).