N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide

C13H8N2O3S — CID 810789

IUPACN-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C13H8N2O3S/c16-11(10-6-3-7-19-10)14-15-12(17)8-4-1-2-5-9(8)13(15)18/h1-7H,(H,14,16)
InChIKeyFUQBNKJYQVXQSR-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.69
Rot. Bonds2

About N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide

N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide (PubChem CID 810789) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide
PubChem CID810789
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC NameN-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C13H8N2O3S/c16-11(10-6-3-7-19-10)14-15-12(17)8-4-1-2-5-9(8)13(15)18/h1-7H,(H,14,16)
InChIKeyFUQBNKJYQVXQSR-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide (CID 810789) is N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide is O=C(NN1C(=O)c2ccccc2C1=O)c1cccs1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide?
The InChIKey is FUQBNKJYQVXQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-11(10-6-3-7-19-10)14-15-12(17)8-4-1-2-5-9(8)13(15)18/h1-7H,(H,14,16).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide?
N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 810789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).