1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea

C16H24N2O3S — CID 110776114

IUPAC1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
SMILESCCS(=O)(=O)c1ccc(CCNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeySIOCZHUMUAQRCB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.26
Rot. Bonds6

About 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea

1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea (PubChem CID 110776114) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
PubChem CID110776114
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
SMILESCCS(=O)(=O)c1ccc(CCNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeySIOCZHUMUAQRCB-UHFFFAOYSA-N
XLogP2.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 110776107
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
1-cyclopentyl-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111791010
N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108958583
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
1-cyclohexyl-3-[methylidene-[4-[2-[1-(5-methylpyrazin-2-yl)ethenylamino]ethyl]phenyl]-oxo-λ6-sulfanyl]urea
CID 145139595
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea (CID 110776114) is 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea is CCS(=O)(=O)c1ccc(CCNC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea?
The InChIKey is SIOCZHUMUAQRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-22(20,21)15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea?
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea has a molecular weight of 324.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 110776114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).