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

C11H16N2OS — CID 115169381

IUPAC1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
SMILESCNC(=O)NCCc1ccc(SC)cc1
InChIInChI=1S/C11H16N2OS/c1-12-11(14)13-8-7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyACTBDUYRAMDISE-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.88
Rot. Bonds4

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

1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea (PubChem CID 115169381) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
PubChem CID115169381
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
SMILESCNC(=O)NCCc1ccc(SC)cc1
InChIInChI=1S/C11H16N2OS/c1-12-11(14)13-8-7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyACTBDUYRAMDISE-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]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-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341
1-(2,2-dimethylpropyl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776095
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
(E)-4-[2-(4-methylsulfanylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 115177285
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115175209
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea (CID 115169381) is 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea is CNC(=O)NCCc1ccc(SC)cc1.
What is the InChIKey of 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea?
The InChIKey is ACTBDUYRAMDISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-11(14)13-8-7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea?
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea has a molecular weight of 224.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea is sourced from PubChem (CID 115169381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).