2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate

C19H23NO6S — CID 7973233

IUPAC2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCOc2cccc(C)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H23NO6S/c1-14-6-5-7-16(12-14)25-10-11-26-19(21)15-8-9-17(24-4)18(13-15)27(22,23)20(2)3/h5-9,12-13H,10-11H2,1-4H3
InChIKeyOCCUNCAGUJFJIJ-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.49
Rot. Bonds8

About 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate

2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate (PubChem CID 7973233) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
PubChem CID7973233
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCOc2cccc(C)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H23NO6S/c1-14-6-5-7-16(12-14)25-10-11-26-19(21)15-8-9-17(24-4)18(13-15)27(22,23)20(2)3/h5-9,12-13H,10-11H2,1-4H3
InChIKeyOCCUNCAGUJFJIJ-UHFFFAOYSA-N
XLogP2.49
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenoxy)ethyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722379
[2-(3-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973554
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
2-(4-fluorophenoxy)ethyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722382
2-(3-methylphenoxy)ethyl 4-(diethylsulfamoyl)benzoate
CID 2557330
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
2-(3-methylphenoxy)ethyl 4-(methylsulfamoyl)benzoate
CID 46670090
[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 94448571
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
[2-oxo-2-(propylamino)ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973353
2-(3-methylphenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386133

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate (CID 7973233) is 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCCOc2cccc(C)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is OCCUNCAGUJFJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-14-6-5-7-16(12-14)25-10-11-26-19(21)15-8-9-17(24-4)18(13-15)27(22,23)20(2)3/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate?
2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 393.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 7973233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).