1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea

C16H18N2O2S — CID 972157

IUPAC1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccccc1SC
InChIInChI=1S/C16H18N2O2S/c1-11-8-9-14(20-2)13(10-11)18-16(19)17-12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyGZQRUCCOFJBEQC-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea

1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 972157) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID972157
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccccc1SC
InChIInChI=1S/C16H18N2O2S/c1-11-8-9-14(20-2)13(10-11)18-16(19)17-12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyGZQRUCCOFJBEQC-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea (CID 972157) is 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccccc1SC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is GZQRUCCOFJBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-8-9-14(20-2)13(10-11)18-16(19)17-12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 302.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 972157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).