methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate

C18H25NO5S — CID 2211650

IUPACmethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C
InChIInChI=1S/C18H25NO5S/c1-14-12-16(8-9-17(14)24-13-18(20)23-2)25(21,22)19-11-10-15-6-4-3-5-7-15/h6,8-9,12,19H,3-5,7,10-11,13H2,1-2H3
InChIKeyGJWFAJZZPLUEFK-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.72
Rot. Bonds8

About methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate

methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate (PubChem CID 2211650) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate
PubChem CID2211650
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Namemethyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C
InChIInChI=1S/C18H25NO5S/c1-14-12-16(8-9-17(14)24-13-18(20)23-2)25(21,22)19-11-10-15-6-4-3-5-7-15/h6,8-9,12,19H,3-5,7,10-11,13H2,1-2H3
InChIKeyGJWFAJZZPLUEFK-UHFFFAOYSA-N
XLogP2.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871324
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-(ethylamino)benzoic acid
CID 99988628
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973607
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 40975736
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate (CID 2211650) is methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C.
What is the InChIKey of methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate?
The InChIKey is GJWFAJZZPLUEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-14-12-16(8-9-17(14)24-13-18(20)23-2)25(21,22)19-11-10-15-6-4-3-5-7-15/h6,8-9,12,19H,3-5,7,10-11,13H2,1-2H3.
What are the key properties of methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate?
methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate has a molecular weight of 367.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 2211650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).