2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide

C13H12N4O4S — CID 91814332

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
SMILESCc1noc(-c2ccsc2NC(=O)CN2C(=O)CCC2=O)n1
InChIInChI=1S/C13H12N4O4S/c1-7-14-12(21-16-7)8-4-5-22-13(8)15-9(18)6-17-10(19)2-3-11(17)20/h4-5H,2-3,6H2,1H3,(H,15,18)
InChIKeyFASHMSBBCPPARG-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.19
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (PubChem CID 91814332) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
PubChem CID91814332
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
SMILESCc1noc(-c2ccsc2NC(=O)CN2C(=O)CCC2=O)n1
InChIInChI=1S/C13H12N4O4S/c1-7-14-12(21-16-7)8-4-5-22-13(8)15-9(18)6-17-10(19)2-3-11(17)20/h4-5H,2-3,6H2,1H3,(H,15,18)
InChIKeyFASHMSBBCPPARG-UHFFFAOYSA-N
XLogP1.19
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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)thiophen-2-yl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (CID 91814332) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-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)thiophen-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide is Cc1noc(-c2ccsc2NC(=O)CN2C(=O)CCC2=O)n1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
The InChIKey is FASHMSBBCPPARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S/c1-7-14-12(21-16-7)8-4-5-22-13(8)15-9(18)6-17-10(19)2-3-11(17)20/h4-5H,2-3,6H2,1H3,(H,15,18).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide has a molecular weight of 320.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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)thiophen-2-yl]acetamide is sourced from PubChem (CID 91814332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).