N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide

C13H20N2O5S — CID 128514047

IUPACN-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CC1CCCS(=O)(=O)C1)C1CC(=O)NC1=O
InChIInChI=1S/C13H20N2O5S/c1-2-15(10-7-11(16)14-13(10)18)12(17)6-9-4-3-5-21(19,20)8-9/h9-10H,2-8H2,1H3,(H,14,16,18)
InChIKeyPBYCRFROOCVTJK-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.54
Rot. Bonds4

About N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide

N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide (PubChem CID 128514047) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide
PubChem CID128514047
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CC1CCCS(=O)(=O)C1)C1CC(=O)NC1=O
InChIInChI=1S/C13H20N2O5S/c1-2-15(10-7-11(16)14-13(10)18)12(17)6-9-4-3-5-21(19,20)8-9/h9-10H,2-8H2,1H3,(H,14,16,18)
InChIKeyPBYCRFROOCVTJK-UHFFFAOYSA-N
XLogP-0.54
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-difluorocyclohexyl)-2-[(3R)-1,1-dioxothian-3-yl]-N-methylacetamide
CID 164629458
N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 66216056
2-(3-bromophenyl)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylacetamide
CID 98127581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(oxan-3-yl)acetamide
CID 110853784
N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 102867055
2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
CID 63638478
1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide
CID 97341239
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 110754658
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide
CID 84598863
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110853781
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
N-(azetidin-3-yl)-2-cyclohexyl-N-ethylacetamide
CID 66181887

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide (CID 128514047) is N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide is CCN(C(=O)CC1CCCS(=O)(=O)C1)C1CC(=O)NC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide?
The InChIKey is PBYCRFROOCVTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-2-15(10-7-11(16)14-13(10)18)12(17)6-9-4-3-5-21(19,20)8-9/h9-10H,2-8H2,1H3,(H,14,16,18).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide?
N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide has a molecular weight of 316.38 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)-2-(1,1-dioxothian-3-yl)-N-ethylacetamide is sourced from PubChem (CID 128514047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).