1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea

C17H20N2O2S — CID 17087569

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C17H20N2O2S/c1-21-16-9-4-3-6-13(16)10-11-18-17(20)19-14-7-5-8-15(12-14)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyUZDDFSPLWNSHEZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea

1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 17087569) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID17087569
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C17H20N2O2S/c1-21-16-9-4-3-6-13(16)10-11-18-17(20)19-14-7-5-8-15(12-14)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyUZDDFSPLWNSHEZ-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108899866
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 970948
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea
CID 3721169
1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 3695787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea (CID 17087569) is 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea is COc1ccccc1CCNC(=O)Nc1cccc(SC)c1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is UZDDFSPLWNSHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-16-9-4-3-6-13(16)10-11-18-17(20)19-14-7-5-8-15(12-14)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 316.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 17087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).