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

C20H23FN2O2S — CID 59168682

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCC(Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN2O2S/c1-26-19-4-2-3-16(13-19)23-20(24)22-15-7-11-18(12-8-15)25-17-9-5-14(21)6-10-17/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3,(H2,22,23,24)
InChIKeyCJBXTXGUKAQNNA-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.06
Rot. Bonds5

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

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 59168682) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID59168682
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCC(Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN2O2S/c1-26-19-4-2-3-16(13-19)23-20(24)22-15-7-11-18(12-8-15)25-17-9-5-14(21)6-10-17/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3,(H2,22,23,24)
InChIKeyCJBXTXGUKAQNNA-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
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-Cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 5177525
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-(4-Fluorophenoxy)cyclohexyl]-3-(2-fluorophenyl)urea
CID 11573778
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea
CID 11574020

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea (CID 59168682) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NC2CCC(Oc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is CJBXTXGUKAQNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-26-19-4-2-3-16(13-19)23-20(24)22-15-7-11-18(12-8-15)25-17-9-5-14(21)6-10-17/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-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-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 59168682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).