3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione

C26H18ClFN2O2S3 — CID 118393061

IUPAC3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(c2ccsc2)(c2cccc(Sc3ccc(F)cc3)n2)NC(=O)C1Sc1ccccc1Cl
InChIInChI=1S/C26H18ClFN2O2S3/c27-19-4-1-2-5-21(19)35-24-20(31)14-26(30-25(24)32,16-12-13-33-15-16)22-6-3-7-23(29-22)34-18-10-8-17(28)9-11-18/h1-13,15,24H,14H2,(H,30,32)
InChIKeyYNWYZDBIQGWCRP-UHFFFAOYSA-N
MW541.09 g/mol
LogP6.58
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione

3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione (PubChem CID 118393061) has the molecular formula C26H18ClFN2O2S3 and a molecular weight of 541.09 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
PubChem CID118393061
Molecular FormulaC26H18ClFN2O2S3
Molecular Weight541.09 g/mol
Exact Mass540.02
IUPAC Name3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(c2ccsc2)(c2cccc(Sc3ccc(F)cc3)n2)NC(=O)C1Sc1ccccc1Cl
InChIInChI=1S/C26H18ClFN2O2S3/c27-19-4-1-2-5-21(19)35-24-20(31)14-26(30-25(24)32,16-12-13-33-15-16)22-6-3-7-23(29-22)34-18-10-8-17(28)9-11-18/h1-13,15,24H,14H2,(H,30,32)
InChIKeyYNWYZDBIQGWCRP-UHFFFAOYSA-N
XLogP6.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.09
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

US11142520, Example 2
CID 135381209
(3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione
CID 134821709
3-(2-Chlorophenyl)sulfanyl-6-[6-(4-fluorobenzoyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
CID 91886025
3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluoro-N-methylanilino)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384453
3-(2-Chlorophenyl)sulfanyl-6-[6-[(4-fluorophenyl)methylamino]-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384454
6-[6-[(4-Chloro-3-fluorophenyl)methyl]-2-pyridinyl]-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384464
3-(2-Chlorophenyl)sulfanyl-6-[6-(4-fluoroanilino)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384476
[6-[5-(2-Chlorophenyl)sulfanyl-2-thiophen-3-ylpiperidin-2-yl]-2-pyridinyl]-(4-fluorophenyl)methanone
CID 118384508
3-(2-Chlorophenyl)sulfanyl-6-[3-[(6-fluoro-5-methyl-3-pyridinyl)amino]phenyl]-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384524
3-(2-chlorophenyl)sulfanyl-6-[6-[N-methyl-3-(trifluoromethyl)anilino]pyridin-2-yl]-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384544
3-(2-Chlorophenyl)sulfanyl-6-[6-(4-cyclopropyl-2-fluoroanilino)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384548
6-[6-(3-chloro-4-fluoro-N-propylanilino)-2-pyridinyl]-3-(2-chlorophenyl)sulfanyl-6-thiophen-3-ylpiperidine-2,4-dione
CID 118384556

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione (CID 118393061) is 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione is O=C1CC(c2ccsc2)(c2cccc(Sc3ccc(F)cc3)n2)NC(=O)C1Sc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?
The InChIKey is YNWYZDBIQGWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN2O2S3/c27-19-4-1-2-5-21(19)35-24-20(31)14-26(30-25(24)32,16-12-13-33-15-16)22-6-3-7-23(29-22)34-18-10-8-17(28)9-11-18/h1-13,15,24H,14H2,(H,30,32).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?
3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione has a molecular weight of 541.09 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)sulfanyl-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione is sourced from PubChem (CID 118393061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).