3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol

C21H20N2O4S — CID 141174413

IUPAC3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol
SMILESCOc1ccccc1CCc1ccc2cc(O)c(N3C=CNS3(=O)=O)cc2c1
InChIInChI=1S/C21H20N2O4S/c1-27-21-5-3-2-4-16(21)8-6-15-7-9-17-14-20(24)19(13-18(17)12-15)23-11-10-22-28(23,25)26/h2-5,7,9-14,22,24H,6,8H2,1H3
InChIKeyNDPCQYMLRJQWCN-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.46
Rot. Bonds5

About 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol

3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol (PubChem CID 141174413) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol
PubChem CID141174413
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol
SMILESCOc1ccccc1CCc1ccc2cc(O)c(N3C=CNS3(=O)=O)cc2c1
InChIInChI=1S/C21H20N2O4S/c1-27-21-5-3-2-4-16(21)8-6-15-7-9-17-14-20(24)19(13-18(17)12-15)23-11-10-22-28(23,25)26/h2-5,7,9-14,22,24H,6,8H2,1H3
InChIKeyNDPCQYMLRJQWCN-UHFFFAOYSA-N
XLogP3.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol with MolForge

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Related Compounds

5-[3-hydroxy-7-[2-(4-methoxyphenyl)ethyl]naphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91197488
5-[3-hydroxy-7-(3-phenylpropyl)naphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 90763645
2-[3-[6-hydroxy-7-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalen-2-yl]propyl]benzonitrile
CID 91090339
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-(4-hydroxy-3-methylbutyl)naphthalen-2-ol
CID 69091366
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one
CID 71571229
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
CID 162852587
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
2-(6,7-dimethoxynaphthalen-2-yl)ethanol
CID 12849270
4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol
CID 90885816
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol?
The IUPAC name of 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol (CID 141174413) is 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol.
What is the SMILES notation for 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol?
The canonical SMILES for 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol is COc1ccccc1CCc1ccc2cc(O)c(N3C=CNS3(=O)=O)cc2c1.
What is the InChIKey of 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol?
The InChIKey is NDPCQYMLRJQWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-21-5-3-2-4-16(21)8-6-15-7-9-17-14-20(24)19(13-18(17)12-15)23-11-10-22-28(23,25)26/h2-5,7,9-14,22,24H,6,8H2,1H3.
What are the key properties of 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol?
3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol has a molecular weight of 396.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-6-[2-(2-methoxyphenyl)ethyl]naphthalen-2-ol is sourced from PubChem (CID 141174413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).