ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate

C18H25NO5S — CID 1314338

IUPACethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NO5S/c1-2-23-18(20)14-24-16-8-10-17(11-9-16)25(21,22)19-13-12-15-6-4-3-5-7-15/h6,8-11,19H,2-5,7,12-14H2,1H3
InChIKeyICSOJTRMPMCHHH-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.80
Rot. Bonds9

About ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate

ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate (PubChem CID 1314338) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate
PubChem CID1314338
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Nameethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NO5S/c1-2-23-18(20)14-24-16-8-10-17(11-9-16)25(21,22)19-13-12-15-6-4-3-5-7-15/h6,8-11,19H,2-5,7,12-14H2,1H3
InChIKeyICSOJTRMPMCHHH-UHFFFAOYSA-N
XLogP2.80
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate (CID 1314338) is ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate?
The InChIKey is ICSOJTRMPMCHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-2-23-18(20)14-24-16-8-10-17(11-9-16)25(21,22)19-13-12-15-6-4-3-5-7-15/h6,8-11,19H,2-5,7,12-14H2,1H3.
What are the key properties of ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate?
ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate has a molecular weight of 367.47 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenoxy]acetate is sourced from PubChem (CID 1314338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).