1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea

C18H22N2O2S — CID 3695787

IUPAC1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-22-16-9-7-14(8-10-16)11-12-19-18(21)20-15-5-4-6-17(13-15)23-2/h4-10,13H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeySWNNWUQWLFOXLD-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.17
Rot. Bonds7

About 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea

1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 3695787) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID3695787
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-22-16-9-7-14(8-10-16)11-12-19-18(21)20-15-5-4-6-17(13-15)23-2/h4-10,13H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeySWNNWUQWLFOXLD-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-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-(3-methylsulfanylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25041397
1-(3-methylsulfanylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3863786
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 828986
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
CID 3697295
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 3837878
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea (CID 3695787) is 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea is CCOc1ccc(CCNC(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is SWNNWUQWLFOXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-22-16-9-7-14(8-10-16)11-12-19-18(21)20-15-5-4-6-17(13-15)23-2/h4-10,13H,3,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea?
1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 330.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 3695787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).