5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C19H20N2O5S — CID 66750740

IUPAC5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2cc3c(cc2OCc2ccccc2)CC(O)CC3)S(=O)(=O)N1
InChIInChI=1S/C19H20N2O5S/c22-16-7-6-14-9-17(21-11-19(23)20-27(21,24)25)18(10-15(14)8-16)26-12-13-4-2-1-3-5-13/h1-5,9-10,16,22H,6-8,11-12H2,(H,20,23)
InChIKeyXWDFEXQGIPFWGN-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.30
Rot. Bonds4

About 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 66750740) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID66750740
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2cc3c(cc2OCc2ccccc2)CC(O)CC3)S(=O)(=O)N1
InChIInChI=1S/C19H20N2O5S/c22-16-7-6-14-9-17(21-11-19(23)20-27(21,24)25)18(10-15(14)8-16)26-12-13-4-2-1-3-5-13/h1-5,9-10,16,22H,6-8,11-12H2,(H,20,23)
InChIKeyXWDFEXQGIPFWGN-UHFFFAOYSA-N
XLogP1.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 66750740) is 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2cc3c(cc2OCc2ccccc2)CC(O)CC3)S(=O)(=O)N1.
What is the InChIKey of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is XWDFEXQGIPFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-16-7-6-14-9-17(21-11-19(23)20-27(21,24)25)18(10-15(14)8-16)26-12-13-4-2-1-3-5-13/h1-5,9-10,16,22H,6-8,11-12H2,(H,20,23).
What are the key properties of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 388.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 66750740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).