1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione

C23H16N2O3S — CID 58622630

IUPAC1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C23H16N2O3S/c26-21-10-11-22(27)25(21)23-12-18-19(13-24-14-20(18)29-23)28-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2
InChIKeyCEIDFPRFAFWGSK-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.41
Rot. Bonds4

About 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione

1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58622630) has the molecular formula C23H16N2O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID58622630
Molecular FormulaC23H16N2O3S
Molecular Weight400.46 g/mol
Exact Mass400.09
IUPAC Name1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C23H16N2O3S/c26-21-10-11-22(27)25(21)23-12-18-19(13-24-14-20(18)29-23)28-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2
InChIKeyCEIDFPRFAFWGSK-UHFFFAOYSA-N
XLogP5.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58622630) is 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is CEIDFPRFAFWGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3S/c26-21-10-11-22(27)25(21)23-12-18-19(13-24-14-20(18)29-23)28-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2.
What are the key properties of 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?
1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 400.46 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58622630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).