6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione

C20H14BrClN2O2S2 — CID 118384470

IUPAC6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(c2ccsc2)(c2cccc(Br)n2)NC(=O)C1Sc1ccccc1Cl
InChIInChI=1S/C20H14BrClN2O2S2/c21-17-7-3-6-16(23-17)20(12-8-9-27-11-12)10-14(25)18(19(26)24-20)28-15-5-2-1-4-13(15)22/h1-9,11,18H,10H2,(H,24,26)
InChIKeyHABILWTZSVCETE-UHFFFAOYSA-N
MW493.84 g/mol
LogP5.05
Rot. Bonds4

About 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione

6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione (PubChem CID 118384470) has the molecular formula C20H14BrClN2O2S2 and a molecular weight of 493.84 g/mol. Its IUPAC name is 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione.

Molecular Properties

Compound Name6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione
PubChem CID118384470
Molecular FormulaC20H14BrClN2O2S2
Molecular Weight493.84 g/mol
Exact Mass491.94
IUPAC Name6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(c2ccsc2)(c2cccc(Br)n2)NC(=O)C1Sc1ccccc1Cl
InChIInChI=1S/C20H14BrClN2O2S2/c21-17-7-3-6-16(23-17)20(12-8-9-27-11-12)10-14(25)18(19(26)24-20)28-15-5-2-1-4-13(15)22/h1-9,11,18H,10H2,(H,24,26)
InChIKeyHABILWTZSVCETE-UHFFFAOYSA-N
XLogP5.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.84
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione?
The IUPAC name of 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione (CID 118384470) is 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione.
What is the SMILES notation for 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione?
The canonical SMILES for 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione is O=C1CC(c2ccsc2)(c2cccc(Br)n2)NC(=O)C1Sc1ccccc1Cl.
What is the InChIKey of 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione?
The InChIKey is HABILWTZSVCETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O2S2/c21-17-7-3-6-16(23-17)20(12-8-9-27-11-12)10-14(25)18(19(26)24-20)28-15-5-2-1-4-13(15)22/h1-9,11,18H,10H2,(H,24,26).
What are the key properties of 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione?
6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione has a molecular weight of 493.84 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2-pyridinyl)-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione is sourced from PubChem (CID 118384470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).