1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea

C15H16N2O2S — CID 6466099

IUPAC1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccccc1SC
InChIInChI=1S/C15H16N2O2S/c1-19-13-9-5-3-7-11(13)16-15(18)17-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyFLMDEYYXXOSYRN-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea

1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 6466099) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID6466099
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccccc1SC
InChIInChI=1S/C15H16N2O2S/c1-19-13-9-5-3-7-11(13)16-15(18)17-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyFLMDEYYXXOSYRN-UHFFFAOYSA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea (CID 6466099) is 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea is COc1ccccc1NC(=O)Nc1ccccc1SC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is FLMDEYYXXOSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-13-9-5-3-7-11(13)16-15(18)17-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 288.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 6466099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).