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

C22H22N2O2S — CID 108899866

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H22N2O2S/c1-26-20-13-7-5-9-17(20)15-16-23-22(25)24-19-12-6-8-14-21(19)27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H2,23,24,25)
InChIKeyFKKBMCFKUIOMOZ-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.21
Rot. Bonds7

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

1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea (PubChem CID 108899866) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
PubChem CID108899866
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H22N2O2S/c1-26-20-13-7-5-9-17(20)15-16-23-22(25)24-19-12-6-8-14-21(19)27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H2,23,24,25)
InChIKeyFKKBMCFKUIOMOZ-UHFFFAOYSA-N
XLogP5.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 110606666
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47032789
1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108901388
1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea (CID 108899866) is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea is COc1ccccc1CCNC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
The InChIKey is FKKBMCFKUIOMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-26-20-13-7-5-9-17(20)15-16-23-22(25)24-19-12-6-8-14-21(19)27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H2,23,24,25).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea has a molecular weight of 378.50 g/mol, XLogP of 5.21, 7 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-(2-phenylsulfanylphenyl)urea is sourced from PubChem (CID 108899866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).