5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C22H20N2O5S — CID 154511742

IUPAC5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc(-c2cccc(OCc3ccccc3)c2)cc1N1CC(=O)NS1(=O)=O
InChIInChI=1S/C22H20N2O5S/c1-28-21-11-10-18(13-20(21)24-14-22(25)23-30(24,26)27)17-8-5-9-19(12-17)29-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyOCSGEZBIZNJQOI-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.12
Rot. Bonds6

About 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 154511742) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID154511742
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc(-c2cccc(OCc3ccccc3)c2)cc1N1CC(=O)NS1(=O)=O
InChIInChI=1S/C22H20N2O5S/c1-28-21-11-10-18(13-20(21)24-14-22(25)23-30(24,26)27)17-8-5-9-19(12-17)29-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyOCSGEZBIZNJQOI-UHFFFAOYSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 154511742) is 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is COc1ccc(-c2cccc(OCc3ccccc3)c2)cc1N1CC(=O)NS1(=O)=O.
What is the InChIKey of 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is OCSGEZBIZNJQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-28-21-11-10-18(13-20(21)24-14-22(25)23-30(24,26)27)17-8-5-9-19(12-17)29-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 424.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 154511742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).