1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea

C16H24N2O2S — CID 100747076

IUPAC1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCSC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-20-15-10-6-5-9-14(15)18-16(19)17-11-12-21-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,17,18,19)
InChIKeyHEOWZNODOQTDNS-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.88
Rot. Bonds6

About 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea

1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea (PubChem CID 100747076) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
PubChem CID100747076
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCSC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-20-15-10-6-5-9-14(15)18-16(19)17-11-12-21-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,17,18,19)
InChIKeyHEOWZNODOQTDNS-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.88
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

1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 132760870
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)urea
CID 27871847
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28576651
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide
CID 42706802

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea (CID 100747076) is 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCSC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea?
The InChIKey is HEOWZNODOQTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-20-15-10-6-5-9-14(15)18-16(19)17-11-12-21-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea?
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea has a molecular weight of 308.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 100747076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).