1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea

C18H28N2O2S — CID 5122248

IUPAC1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCCSC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-2-22-16-11-9-15(10-12-16)20-18(21)19-13-6-14-23-17-7-4-3-5-8-17/h9-12,17H,2-8,13-14H2,1H3,(H2,19,20,21)
InChIKeyWBPXRGFRLWXVGC-UHFFFAOYSA-N
MW336.50 g/mol
LogP4.66
Rot. Bonds8

About 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea

1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea (PubChem CID 5122248) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea
PubChem CID5122248
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCCSC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-2-22-16-11-9-15(10-12-16)20-18(21)19-13-6-14-23-17-7-4-3-5-8-17/h9-12,17H,2-8,13-14H2,1H3,(H2,19,20,21)
InChIKeyWBPXRGFRLWXVGC-UHFFFAOYSA-N
XLogP4.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 54.66
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

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1-[4-(4-Fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25093351
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
3-(4-Methoxyphenyl)-1,1-dimethylurea
CID 23550
N,N'-(Di-p-methoxyphenyl)urea
CID 136951
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-Cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 4799088
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CID 44419697

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea (CID 5122248) is 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCCCSC2CCCCC2)cc1.
What is the InChIKey of 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is WBPXRGFRLWXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-2-22-16-11-9-15(10-12-16)20-18(21)19-13-6-14-23-17-7-4-3-5-8-17/h9-12,17H,2-8,13-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea?
1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 336.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfanylpropyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 5122248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).