1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea

C11H16N2O2S — CID 47033133

IUPAC1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
SMILESCOCCNC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C11H16N2O2S/c1-15-8-7-12-11(14)13-9-3-5-10(16-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyGLXBUHNMAIDABW-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.18
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea

1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea (PubChem CID 47033133) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
PubChem CID47033133
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
SMILESCOCCNC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C11H16N2O2S/c1-15-8-7-12-11(14)13-9-3-5-10(16-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyGLXBUHNMAIDABW-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylsulfanylphenyl)-3-pentylurea
CID 21064485
2-methoxy-3-[(4-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 114144566
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
ethyl 4-[(4-methylsulfanylphenyl)carbamoylamino]butanoate
CID 3705262
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(4,4-diethoxybutyl)-3-(4-methylsulfanylphenyl)urea
CID 3808672
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(2-methoxyethyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 45497112
3-methoxy-4-[(4-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 103158329
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea (CID 47033133) is 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea is COCCNC(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea?
The InChIKey is GLXBUHNMAIDABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-15-8-7-12-11(14)13-9-3-5-10(16-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea?
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea has a molecular weight of 240.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 47033133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).