1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea

C15H15ClN2O2S — CID 971970

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC
InChIInChI=1S/C15H15ClN2O2S/c1-20-13-8-7-10(16)9-12(13)18-15(19)17-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeySVAKLDYICDKREU-UHFFFAOYSA-N
MW322.82 g/mol
LogP4.71
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 971970) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID971970
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC
InChIInChI=1S/C15H15ClN2O2S/c1-20-13-8-7-10(16)9-12(13)18-15(19)17-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeySVAKLDYICDKREU-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea (CID 971970) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is SVAKLDYICDKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-20-13-8-7-10(16)9-12(13)18-15(19)17-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 322.82 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 971970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).