1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea

C13H19FN2O2S — CID 72885789

IUPAC1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea
SMILESCCCSCCNC(=O)Nc1cc(F)ccc1OC
InChIInChI=1S/C13H19FN2O2S/c1-3-7-19-8-6-15-13(17)16-11-9-10(14)4-5-12(11)18-2/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,17)
InChIKeyJVHSZLXIDBQPDH-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.10
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea

1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea (PubChem CID 72885789) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea
PubChem CID72885789
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea
SMILESCCCSCCNC(=O)Nc1cc(F)ccc1OC
InChIInChI=1S/C13H19FN2O2S/c1-3-7-19-8-6-15-13(17)16-11-9-10(14)4-5-12(11)18-2/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,17)
InChIKeyJVHSZLXIDBQPDH-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
1-(2,5-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891763
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
CID 115186809
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031754
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
CID 47032218
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
methyl 4-(5-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 110776545

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea (CID 72885789) is 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea is CCCSCCNC(=O)Nc1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea?
The InChIKey is JVHSZLXIDBQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-3-7-19-8-6-15-13(17)16-11-9-10(14)4-5-12(11)18-2/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea?
1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea has a molecular weight of 286.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea is sourced from PubChem (CID 72885789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).