2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

C16H16N4O5S — CID 86266919

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCc1noc(-c2c(NC(=O)CN3C(=O)CCC3=O)sc3c2CCOC3)n1
InChIInChI=1S/C16H16N4O5S/c1-8-17-15(25-19-8)14-9-4-5-24-7-10(9)26-16(14)18-11(21)6-20-12(22)2-3-13(20)23/h2-7H2,1H3,(H,18,21)
InChIKeyIBNOELGNEAHHNW-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.27
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (PubChem CID 86266919) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
PubChem CID86266919
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCc1noc(-c2c(NC(=O)CN3C(=O)CCC3=O)sc3c2CCOC3)n1
InChIInChI=1S/C16H16N4O5S/c1-8-17-15(25-19-8)14-9-4-5-24-7-10(9)26-16(14)18-11(21)6-20-12(22)2-3-13(20)23/h2-7H2,1H3,(H,18,21)
InChIKeyIBNOELGNEAHHNW-UHFFFAOYSA-N
XLogP1.27
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (CID 86266919) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is Cc1noc(-c2c(NC(=O)CN3C(=O)CCC3=O)sc3c2CCOC3)n1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The InChIKey is IBNOELGNEAHHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-8-17-15(25-19-8)14-9-4-5-24-7-10(9)26-16(14)18-11(21)6-20-12(22)2-3-13(20)23/h2-7H2,1H3,(H,18,21).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide has a molecular weight of 376.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is sourced from PubChem (CID 86266919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).