N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C13H22N2O6S — CID 156791281

IUPACN-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCS(=O)(=O)CCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C13H22N2O6S/c1-10-9-12(17)15(13(10)18)5-3-11(16)14-4-7-22(19,20)8-6-21-2/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyAAHNGTOEVFIREG-UHFFFAOYSA-N
MW334.39 g/mol
LogP-1.05
Rot. Bonds9

About N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 156791281) has the molecular formula C13H22N2O6S and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID156791281
Molecular FormulaC13H22N2O6S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC NameN-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCS(=O)(=O)CCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C13H22N2O6S/c1-10-9-12(17)15(13(10)18)5-3-11(16)14-4-7-22(19,20)8-6-21-2/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyAAHNGTOEVFIREG-UHFFFAOYSA-N
XLogP-1.05
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl N-ethylcarbamate
CID 167208030
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
N-(2-ethylsulfonylethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118362321
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59757292
3-acetyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 59446018
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide
CID 156532724
3-(3-deuteriophosphanylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)propanamide
CID 172547848

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 156791281) is N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is COCCS(=O)(=O)CCNC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is AAHNGTOEVFIREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6S/c1-10-9-12(17)15(13(10)18)5-3-11(16)14-4-7-22(19,20)8-6-21-2/h10H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 334.39 g/mol, XLogP of -1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 156791281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).