1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea

C13H20N2O3S — CID 47373399

IUPAC1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
SMILESCc1ccccc1CCNC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-11-5-3-4-6-12(11)7-8-14-13(16)15-9-10-19(2,17)18/h3-6H,7-10H2,1-2H3,(H2,14,15,16)
InChIKeyCCEKREPSRKBIEP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.88
Rot. Bonds6

About 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea

1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea (PubChem CID 47373399) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
PubChem CID47373399
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
SMILESCc1ccccc1CCNC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-11-5-3-4-6-12(11)7-8-14-13(16)15-9-10-19(2,17)18/h3-6H,7-10H2,1-2H3,(H2,14,15,16)
InChIKeyCCEKREPSRKBIEP-UHFFFAOYSA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
4-[[2-(2-methylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108899701
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
1-[2-(2-methylphenyl)ethyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47743658
1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
1-[2-(2-methylphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108899727

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea (CID 47373399) is 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea is Cc1ccccc1CCNC(=O)NCCS(C)(=O)=O.
What is the InChIKey of 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
The InChIKey is CCEKREPSRKBIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-5-3-4-6-12(11)7-8-14-13(16)15-9-10-19(2,17)18/h3-6H,7-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea has a molecular weight of 284.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 47373399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).