3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one

C19H15NO4S — CID 18884383

IUPAC3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one
SMILESO=C1N(CCOc2ccc3ccccc3c2)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H15NO4S/c21-19-20(17-7-3-4-8-18(17)25(19,22)23)11-12-24-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13H,11-12H2
InChIKeyLZMDFTFENIODKG-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.63
Rot. Bonds4

About 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one

3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one (PubChem CID 18884383) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one
PubChem CID18884383
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one
SMILESO=C1N(CCOc2ccc3ccccc3c2)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H15NO4S/c21-19-20(17-7-3-4-8-18(17)25(19,22)23)11-12-24-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13H,11-12H2
InChIKeyLZMDFTFENIODKG-UHFFFAOYSA-N
XLogP3.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-chlorophenoxy)propyl]-1,1-dioxo-1,3-benzothiazol-2-one
CID 18884390
2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 71885752
7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione
CID 18803525
1-(2-naphthalen-2-yloxyethyl)pyrrole
CID 82083884
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione
CID 139020276
5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one
CID 22769190
10-naphthalen-2-ylphenothiazine 5,5-dioxide
CID 141391078
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-[2-(2-methylisoquinolin-2-ium-6-yl)oxyethyl]isoindole-1,3-dione bromide
CID 21418184
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
5-bromo-3-hydroxy-1-(2-naphthalen-2-yloxyethyl)-3-(2-oxopropyl)indol-2-one
CID 18888736

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one?
The IUPAC name of 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one (CID 18884383) is 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one is O=C1N(CCOc2ccc3ccccc3c2)c2ccccc2S1(=O)=O.
What is the InChIKey of 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one?
The InChIKey is LZMDFTFENIODKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-19-20(17-7-3-4-8-18(17)25(19,22)23)11-12-24-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13H,11-12H2.
What are the key properties of 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one?
3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one has a molecular weight of 353.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one is sourced from PubChem (CID 18884383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).