1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea

C20H23FN2O2S — CID 59168713

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2S/c1-26-19-5-3-2-4-18(19)23-20(24)22-15-8-12-17(13-9-15)25-16-10-6-14(21)7-11-16/h2-7,10-11,15,17H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyVGBDETICKZXBTO-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.06
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea (PubChem CID 59168713) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea
PubChem CID59168713
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2S/c1-26-19-5-3-2-4-18(19)23-20(24)22-15-8-12-17(13-9-15)25-16-10-6-14(21)7-11-16/h2-7,10-11,15,17H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyVGBDETICKZXBTO-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-Fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25093351
1-[4-(4-Fluoro-phenoxy)-cyclohexyl]-3-(4-iodo-phenyl)-urea
CID 44419697
N-(4-ethoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 972027
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
1-[4-(4-Fluoro-phenoxy)-cyclohexyl]-3-(2-trifluoromethoxy-phenyl)-urea
CID 44419725
1-[4-(4-Methoxyphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 130451194
N-cyclohexyl-N'-(4-phenoxyphenyl)urea
CID 840674
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea
CID 59168763
1-[3-(Cyclohexylsulfanyl)propyl]-3-(4-ethoxyphenyl)urea
CID 5122248
1-(4-Methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-(2-fluorophenyl)urea
CID 11573778

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea (CID 59168713) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea?
The InChIKey is VGBDETICKZXBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-26-19-5-3-2-4-18(19)23-20(24)22-15-8-12-17(13-9-15)25-16-10-6-14(21)7-11-16/h2-7,10-11,15,17H,8-9,12-13H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea has a molecular weight of 374.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 59168713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).