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

C16H17FN2OS — CID 11565728

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2OS/c1-21-15-8-6-14(7-9-15)19-16(20)18-11-10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyOPQCUWWFJYJFSK-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.91
Rot. Bonds5

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

1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea (PubChem CID 11565728) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea
PubChem CID11565728
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2OS/c1-21-15-8-6-14(7-9-15)19-16(20)18-11-10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyOPQCUWWFJYJFSK-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea (CID 11565728) is 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea is CSc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea?
The InChIKey is OPQCUWWFJYJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-21-15-8-6-14(7-9-15)19-16(20)18-11-10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea?
1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea has a molecular weight of 304.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 11565728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).