1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine

C21H21NO2S2 — CID 122526593

IUPAC1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine
SMILESCCOc1cc(Sc2ccc(N3CC=CCC3)c(-c3ccco3)c2)cs1
InChIInChI=1S/C21H21NO2S2/c1-2-23-21-14-17(15-25-21)26-16-8-9-19(22-10-4-3-5-11-22)18(13-16)20-7-6-12-24-20/h3-4,6-9,12-15H,2,5,10-11H2,1H3
InChIKeyAWMRLRQIPFXLIP-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.32
Rot. Bonds6

About 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine

1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine (PubChem CID 122526593) has the molecular formula C21H21NO2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine
PubChem CID122526593
Molecular FormulaC21H21NO2S2
Molecular Weight383.54 g/mol
Exact Mass383.10
IUPAC Name1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine
SMILESCCOc1cc(Sc2ccc(N3CC=CCC3)c(-c3ccco3)c2)cs1
InChIInChI=1S/C21H21NO2S2/c1-2-23-21-14-17(15-25-21)26-16-8-9-19(22-10-4-3-5-11-22)18(13-16)20-7-6-12-24-20/h3-4,6-9,12-15H,2,5,10-11H2,1H3
InChIKeyAWMRLRQIPFXLIP-UHFFFAOYSA-N
XLogP6.32
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine 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 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine (CID 122526593) is 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine is CCOc1cc(Sc2ccc(N3CC=CCC3)c(-c3ccco3)c2)cs1.
What is the InChIKey of 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is AWMRLRQIPFXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S2/c1-2-23-21-14-17(15-25-21)26-16-8-9-19(22-10-4-3-5-11-22)18(13-16)20-7-6-12-24-20/h3-4,6-9,12-15H,2,5,10-11H2,1H3.
What are the key properties of 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine?
1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 383.54 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethoxythiophen-3-yl)sulfanyl-2-(furan-2-yl)phenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 122526593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).