1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea

C18H16N2O2S — CID 5330584

IUPAC1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)Nc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-23-13-10-8-12(9-11-13)19-18(22)20-16-6-2-5-15-14(16)4-3-7-17(15)21/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyWWZOYKOQHZVBNZ-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.91
Rot. Bonds3

About 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea

1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea (PubChem CID 5330584) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea
PubChem CID5330584
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)Nc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-23-13-10-8-12(9-11-13)19-18(22)20-16-6-2-5-15-14(16)4-3-7-17(15)21/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyWWZOYKOQHZVBNZ-UHFFFAOYSA-N
XLogP4.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea (CID 5330584) is 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea is CSc1ccc(NC(=O)Nc2cccc3c(O)cccc23)cc1.
What is the InChIKey of 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea?
The InChIKey is WWZOYKOQHZVBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-23-13-10-8-12(9-11-13)19-18(22)20-16-6-2-5-15-14(16)4-3-7-17(15)21/h2-11,21H,1H3,(H2,19,20,22).
What are the key properties of 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea?
1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea has a molecular weight of 324.41 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxynaphthalen-1-yl)-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 5330584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).