3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea

C19H24N2O3S — CID 72854209

IUPAC3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea
SMILESCCSc1ccc(NC(=O)N(C)CCOc2cccc(OC)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-25-18-10-8-15(9-11-18)20-19(22)21(2)12-13-24-17-7-5-6-16(14-17)23-3/h5-11,14H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyDMNAEOOWILNCOZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.35
Rot. Bonds8

About 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea

3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea (PubChem CID 72854209) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea
PubChem CID72854209
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea
SMILESCCSc1ccc(NC(=O)N(C)CCOc2cccc(OC)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-25-18-10-8-15(9-11-18)20-19(22)21(2)12-13-24-17-7-5-6-16(14-17)23-3/h5-11,14H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyDMNAEOOWILNCOZ-UHFFFAOYSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014
3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 24528891
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 138998359
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 112825805
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea?
The IUPAC name of 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea (CID 72854209) is 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea.
What is the SMILES notation for 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea?
The canonical SMILES for 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea is CCSc1ccc(NC(=O)N(C)CCOc2cccc(OC)c2)cc1.
What is the InChIKey of 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea?
The InChIKey is DMNAEOOWILNCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-25-18-10-8-15(9-11-18)20-19(22)21(2)12-13-24-17-7-5-6-16(14-17)23-3/h5-11,14H,4,12-13H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea?
3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea has a molecular weight of 360.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea is sourced from PubChem (CID 72854209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).