4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione

C15H13NO2S — CID 53392514

IUPAC4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(CCc1cccs1)C2=O
InChIInChI=1S/C15H13NO2S/c1-10-4-2-6-12-13(10)15(18)16(14(12)17)8-7-11-5-3-9-19-11/h2-6,9H,7-8H2,1H3
InChIKeyKGENYTULIBBNAI-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.90
Rot. Bonds3

About 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione

4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione (PubChem CID 53392514) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione
PubChem CID53392514
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(CCc1cccs1)C2=O
InChIInChI=1S/C15H13NO2S/c1-10-4-2-6-12-13(10)15(18)16(14(12)17)8-7-11-5-3-9-19-11/h2-6,9H,7-8H2,1H3
InChIKeyKGENYTULIBBNAI-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione?
The IUPAC name of 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione (CID 53392514) is 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione is Cc1cccc2c1C(=O)N(CCc1cccs1)C2=O.
What is the InChIKey of 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione?
The InChIKey is KGENYTULIBBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10-4-2-6-12-13(10)15(18)16(14(12)17)8-7-11-5-3-9-19-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione?
4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione has a molecular weight of 271.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-thiophen-2-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 53392514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).