N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide

C13H8N2O3S — CID 882842

IUPACN-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccs1
InChIInChI=1S/C13H8N2O3S/c16-11-8-4-3-7(6-9(8)12(17)15-11)14-13(18)10-2-1-5-19-10/h1-6H,(H,14,18)(H,15,16,17)
InChIKeyQEZZFGMEBCMCIS-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.88
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide

N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide (PubChem CID 882842) has the molecular formula C13H8N2O3S and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
PubChem CID882842
Molecular FormulaC13H8N2O3S
Molecular Weight272.28 g/mol
Exact Mass272.03
IUPAC NameN-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccs1
InChIInChI=1S/C13H8N2O3S/c16-11-8-4-3-7(6-9(8)12(17)15-11)14-13(18)10-2-1-5-19-10/h1-6H,(H,14,18)(H,15,16,17)
InChIKeyQEZZFGMEBCMCIS-UHFFFAOYSA-N
XLogP1.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide (CID 882842) is N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccs1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide?
The InChIKey is QEZZFGMEBCMCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-11-8-4-3-7(6-9(8)12(17)15-11)14-13(18)10-2-1-5-19-10/h1-6H,(H,14,18)(H,15,16,17).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide?
N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 882842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).