potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C20H19KN2O5S — CID 173085869

IUPACpotassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc2cc(OCc3ccccc3)c(N3CC(=O)NS3(=O)=O)cc2c1.[H-].[K+]
InChIInChI=1S/C20H18N2O5S.K.H/c1-26-17-8-7-15-11-19(27-13-14-5-3-2-4-6-14)18(10-16(15)9-17)22-12-20(23)21-28(22,24)25;;/h2-11H,12-13H2,1H3,(H,21,23);;/q;+1;-1
InChIKeyDLLTZXFMHRWPRG-UHFFFAOYSA-N
MW438.55 g/mol
LogP-0.28
Rot. Bonds5

About potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 173085869) has the molecular formula C20H19KN2O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Namepotassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID173085869
Molecular FormulaC20H19KN2O5S
Molecular Weight438.55 g/mol
Exact Mass438.07
IUPAC Namepotassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc2cc(OCc3ccccc3)c(N3CC(=O)NS3(=O)=O)cc2c1.[H-].[K+]
InChIInChI=1S/C20H18N2O5S.K.H/c1-26-17-8-7-15-11-19(27-13-14-5-3-2-4-6-14)18(10-16(15)9-17)22-12-20(23)21-28(22,24)25;;/h2-11H,12-13H2,1H3,(H,21,23);;/q;+1;-1
InChIKeyDLLTZXFMHRWPRG-UHFFFAOYSA-N
XLogP-0.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[7-[3-(aminomethyl)phenyl]-3-phenylmethoxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 66750905
5-[2-methoxy-5-(3-phenylmethoxyphenyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 154511742
5-(4-ethenyl-2-phenylmethoxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 68838161
5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 66750740
5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 68839041
5-[4-[(2,5-difluorophenyl)methyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 158712105
5-[7-[2-(dimethylamino)ethoxy]-1-fluoro-3-phenylmethoxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155764476
5-[4-(2,2-dimethyl-3-oxo-3-phenylpropyl)-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 68837768
5-[2-Benzyloxy-4-(2,2-dimethyl-3-oxo-3-phenylpropyl)-phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one potassium salt
CID 68838620
5-[2-Benzyloxy-4-(2-methyl-3-oxo-pentyl)-phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one potassium salt
CID 69001892
5-[4-(3-butyloxiran-2-yl)-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 86632585
5-[7-(2-aminoethylamino)-1-fluoro-3-phenylmethoxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155764305

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 173085869) is potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is COc1ccc2cc(OCc3ccccc3)c(N3CC(=O)NS3(=O)=O)cc2c1.[H-].[K+].
What is the InChIKey of potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is DLLTZXFMHRWPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S.K.H/c1-26-17-8-7-15-11-19(27-13-14-5-3-2-4-6-14)18(10-16(15)9-17)22-12-20(23)21-28(22,24)25;;/h2-11H,12-13H2,1H3,(H,21,23);;/q;+1;-1.
What are the key properties of potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 438.55 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;5-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 173085869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).