3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one

C23H20N2O2S — CID 102488454

IUPAC3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one
SMILES[H]N=S(C)(=Nc1ccccc1)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C23H20N2O2S/c1-28(24,25-19-10-6-3-7-11-19)20-14-12-17(13-15-20)21-16-27-23(26)22(21)18-8-4-2-5-9-18/h2-15,24H,16H2,1H3
InChIKeyGQSBLZBOSFLUMN-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.57
Rot. Bonds4

About 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one

3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one (PubChem CID 102488454) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one
PubChem CID102488454
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one
SMILES[H]N=S(C)(=Nc1ccccc1)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C23H20N2O2S/c1-28(24,25-19-10-6-3-7-11-19)20-14-12-17(13-15-20)21-16-27-23(26)22(21)18-8-4-2-5-9-18/h2-15,24H,16H2,1H3
InChIKeyGQSBLZBOSFLUMN-UHFFFAOYSA-N
XLogP5.57
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one (CID 102488454) is 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one is [H]N=S(C)(=Nc1ccccc1)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.
What is the InChIKey of 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one?
The InChIKey is GQSBLZBOSFLUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-28(24,25-19-10-6-3-7-11-19)20-14-12-17(13-15-20)21-16-27-23(26)22(21)18-8-4-2-5-9-18/h2-15,24H,16H2,1H3.
What are the key properties of 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one?
3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one has a molecular weight of 388.49 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(S-methyl-N-phenylsulfonodiimidoyl)phenyl]-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 102488454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).