2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate

C20H24FNO6S — CID 16529915

IUPAC2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCCOc2ccc(OC)cc2)ccc1F
InChIInChI=1S/C20H24FNO6S/c1-4-22(5-2)29(24,25)19-14-15(6-11-18(19)21)20(23)28-13-12-27-17-9-7-16(26-3)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyMAJVHALPIMKOJW-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.10
Rot. Bonds10

About 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate

2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate (PubChem CID 16529915) has the molecular formula C20H24FNO6S and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate
PubChem CID16529915
Molecular FormulaC20H24FNO6S
Molecular Weight425.48 g/mol
Exact Mass425.13
IUPAC Name2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCCOc2ccc(OC)cc2)ccc1F
InChIInChI=1S/C20H24FNO6S/c1-4-22(5-2)29(24,25)19-14-15(6-11-18(19)21)20(23)28-13-12-27-17-9-7-16(26-3)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyMAJVHALPIMKOJW-UHFFFAOYSA-N
XLogP3.10
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.10
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-(4-methylphenoxy)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545764
2-(4-methoxyphenoxy)ethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 16528975
(2-chloro-7-methoxyquinolin-3-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530063
[2-(dimethylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529926
2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
CID 7970040
(4-methylphenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529928
2-(4-methoxyphenoxy)ethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976122
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072188
(4-cyanophenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530024
(3-fluorophenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529935
2-(4-fluorophenoxy)ethyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722382
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530056

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate (CID 16529915) is 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCCOc2ccc(OC)cc2)ccc1F.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is MAJVHALPIMKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO6S/c1-4-22(5-2)29(24,25)19-14-15(6-11-18(19)21)20(23)28-13-12-27-17-9-7-16(26-3)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 425.48 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 16529915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).