2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione

C24H18N2O2S — CID 145415705

IUPAC2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione
SMILESCc1csc2nc(C(C)N3C(=O)c4ccccc4C3=O)c(-c3ccccc3)cc12
InChIInChI=1S/C24H18N2O2S/c1-14-13-29-22-19(14)12-20(16-8-4-3-5-9-16)21(25-22)15(2)26-23(27)17-10-6-7-11-18(17)24(26)28/h3-13,15H,1-2H3
InChIKeyIOSOQBLSZMDGGF-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.63
Rot. Bonds3

About 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione

2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione (PubChem CID 145415705) has the molecular formula C24H18N2O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione
PubChem CID145415705
Molecular FormulaC24H18N2O2S
Molecular Weight398.49 g/mol
Exact Mass398.11
IUPAC Name2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione
SMILESCc1csc2nc(C(C)N3C(=O)c4ccccc4C3=O)c(-c3ccccc3)cc12
InChIInChI=1S/C24H18N2O2S/c1-14-13-29-22-19(14)12-20(16-8-4-3-5-9-16)21(25-22)15(2)26-23(27)17-10-6-7-11-18(17)24(26)28/h3-13,15H,1-2H3
InChIKeyIOSOQBLSZMDGGF-UHFFFAOYSA-N
XLogP5.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
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 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione (CID 145415705) is 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione is Cc1csc2nc(C(C)N3C(=O)c4ccccc4C3=O)c(-c3ccccc3)cc12.
What is the InChIKey of 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione?
The InChIKey is IOSOQBLSZMDGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S/c1-14-13-29-22-19(14)12-20(16-8-4-3-5-9-16)21(25-22)15(2)26-23(27)17-10-6-7-11-18(17)24(26)28/h3-13,15H,1-2H3.
What are the key properties of 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione?
2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione has a molecular weight of 398.49 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-5-phenylthieno[2,3-b]pyridin-6-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 145415705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).