2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C24H18N2O2S2 — CID 23411501

IUPAC2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(SCCOc2cccc3ccccc23)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C24H18N2O2S2/c27-22-21-19(17-7-2-1-3-8-17)15-30-23(21)26-24(25-22)29-14-13-28-20-12-6-10-16-9-4-5-11-18(16)20/h1-12,15H,13-14H2,(H,25,26,27)
InChIKeyWKVAQELIDVOQHJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.98
Rot. Bonds6

About 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 23411501) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID23411501
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC Name2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(SCCOc2cccc3ccccc23)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C24H18N2O2S2/c27-22-21-19(17-7-2-1-3-8-17)15-30-23(21)26-24(25-22)29-14-13-28-20-12-6-10-16-9-4-5-11-18(16)20/h1-12,15H,13-14H2,(H,25,26,27)
InChIKeyWKVAQELIDVOQHJ-UHFFFAOYSA-N
XLogP5.98
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(3-methylphenoxy)ethylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7575500
2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one
CID 135460544
N-naphthalen-1-yl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40861429
3-[2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethoxy]benzonitrile
CID 60515613
methyl 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CID 7575485
N-benzyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2301911
N-carbamoyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2075806
3-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-phenylpropanamide
CID 24589668
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7171575
4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 7575504
2-butylsulfanyl-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7309625
ethyl (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetate
CID 40854555

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 23411501) is 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(SCCOc2cccc3ccccc23)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WKVAQELIDVOQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c27-22-21-19(17-7-2-1-3-8-17)15-30-23(21)26-24(25-22)29-14-13-28-20-12-6-10-16-9-4-5-11-18(16)20/h1-12,15H,13-14H2,(H,25,26,27).
What are the key properties of 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 430.55 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 23411501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).