1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C23H19NO2S — CID 122187201

IUPAC1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCSc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)N(C)C2=O)cc1
InChIInChI=1S/C23H19NO2S/c1-24-22(26)20(16-8-10-19(27-2)11-9-16)21(17-6-4-3-5-7-17)23(24)14-12-18(25)13-15-23/h3-15H,1-2H3
InChIKeyGXVFVMXTOTVBIW-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.23
Rot. Bonds3

About 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 122187201) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID122187201
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCSc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)N(C)C2=O)cc1
InChIInChI=1S/C23H19NO2S/c1-24-22(26)20(16-8-10-19(27-2)11-9-16)21(17-6-4-3-5-7-17)23(24)14-12-18(25)13-15-23/h3-15H,1-2H3
InChIKeyGXVFVMXTOTVBIW-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 122187201) is 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CSc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)N(C)C2=O)cc1.
What is the InChIKey of 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is GXVFVMXTOTVBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c1-24-22(26)20(16-8-10-19(27-2)11-9-16)21(17-6-4-3-5-7-17)23(24)14-12-18(25)13-15-23/h3-15H,1-2H3.
What are the key properties of 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 373.48 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 122187201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).