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

C18H22N2O2S — CID 86987084

IUPAC1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOCCN(Cc1ccccc1)C(=O)Nc1ccccc1SC
InChIInChI=1S/C18H22N2O2S/c1-22-13-12-20(14-15-8-4-3-5-9-15)18(21)19-16-10-6-7-11-17(16)23-2/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyQSXSQUWLTMKLBW-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.09
Rot. Bonds7

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

1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 86987084) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID86987084
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOCCN(Cc1ccccc1)C(=O)Nc1ccccc1SC
InChIInChI=1S/C18H22N2O2S/c1-22-13-12-20(14-15-8-4-3-5-9-15)18(21)19-16-10-6-7-11-17(16)23-2/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyQSXSQUWLTMKLBW-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(2-methylsulfanylphenyl)-1-prop-2-enylurea
CID 86987076
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
1-benzyl-1-(2-methoxyethyl)-3-pentylurea
CID 86913997
1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47489067
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
3-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]sulfanylpropanamide
CID 56587087
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
1,1-dibenzyl-3-(2-sulfanylphenyl)urea
CID 108886407

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea (CID 86987084) is 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea is COCCN(Cc1ccccc1)C(=O)Nc1ccccc1SC.
What is the InChIKey of 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is QSXSQUWLTMKLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-13-12-20(14-15-8-4-3-5-9-15)18(21)19-16-10-6-7-11-17(16)23-2/h3-11H,12-14H2,1-2H3,(H,19,21).
What are the key properties of 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea?
1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 330.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 86987084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).