1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea

C16H16F2N2O2S — CID 71865565

IUPAC1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESCS(=O)c1ccc(NC(=O)NCCc2cccc(F)c2)cc1F
InChIInChI=1S/C16H16F2N2O2S/c1-23(22)15-6-5-13(10-14(15)18)20-16(21)19-8-7-11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21)
InChIKeyHFALKLXRWJSCGL-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea

1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 71865565) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID71865565
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESCS(=O)c1ccc(NC(=O)NCCc2cccc(F)c2)cc1F
InChIInChI=1S/C16H16F2N2O2S/c1-23(22)15-6-5-13(10-14(15)18)20-16(21)19-8-7-11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21)
InChIKeyHFALKLXRWJSCGL-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-(1,3-benzodioxol-5-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290583
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108901146
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea (CID 71865565) is 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea is CS(=O)c1ccc(NC(=O)NCCc2cccc(F)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is HFALKLXRWJSCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c1-23(22)15-6-5-13(10-14(15)18)20-16(21)19-8-7-11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 338.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 71865565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).