1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea

C18H16N2O2S — CID 3684843

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16N2O2S/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyGYHZBYPKMNZJKG-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.91
Rot. Bonds3

About 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea

1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 3684843) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea
PubChem CID3684843
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16N2O2S/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyGYHZBYPKMNZJKG-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

Analyze 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Hydroxy-1-naphthalenyl)-N'-phenylurea
CID 4432275
Diarylurea deriv. 1a
CID 5330587
1-Benzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 5330591
1-(7-Hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 310417
1-(7-Hydroxynaphthalen-1-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 10291273
Pcmd-CC-pab-239
CID 16738603
1-(7-Hydroxynaphthalen-1-yl)-3-(2-(trifluoromethyl)phenyl)urea
CID 54581568
1-(7-Hydroxynaphthalen-1-yl)-3-m-tolylurea
CID 54581579
1-(3-Fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54583542
1-(3-(Hydroxymethyl)phenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54583544
1-(3-(1-Hydroxyethyl)phenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586431
1-(5-Hydroxynaphthalen-1-yl)-3-[4-(methylsulfanyl)phenyl]urea
CID 5330584

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea (CID 3684843) is 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is GYHZBYPKMNZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea?
1-(7-hydroxynaphthalen-1-yl)-3-(3-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-(7-hydroxynaphthalen-1-yl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 3684843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).