5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C17H18N2O4S — CID 24970105

IUPAC5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-12(14-5-3-2-4-6-14)9-13-7-8-15(16(20)10-13)19-11-17(21)18-24(19,22)23/h2-8,10,12,20H,9,11H2,1H3,(H,18,21)
InChIKeyHIBQFMDWBMAHBN-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.92
Rot. Bonds4

About 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 24970105) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID24970105
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-12(14-5-3-2-4-6-14)9-13-7-8-15(16(20)10-13)19-11-17(21)18-24(19,22)23/h2-8,10,12,20H,9,11H2,1H3,(H,18,21)
InChIKeyHIBQFMDWBMAHBN-UHFFFAOYSA-N
XLogP1.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 24970105) is 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CC(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)c1ccccc1.
What is the InChIKey of 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is HIBQFMDWBMAHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(14-5-3-2-4-6-14)9-13-7-8-15(16(20)10-13)19-11-17(21)18-24(19,22)23/h2-8,10,12,20H,9,11H2,1H3,(H,18,21).
What are the key properties of 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 346.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-4-(2-phenylpropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 24970105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).