[2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate

C14H19FN2O6S — CID 7976212

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCOCCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C14H19FN2O6S/c1-17(2)24(20,21)10-4-5-12(15)11(8-10)14(19)23-9-13(18)16-6-7-22-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyDDRUYFPTXCIFHS-UHFFFAOYSA-N
MW362.38 g/mol
LogP-0.00
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate (PubChem CID 7976212) has the molecular formula C14H19FN2O6S and a molecular weight of 362.38 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
PubChem CID7976212
Molecular FormulaC14H19FN2O6S
Molecular Weight362.38 g/mol
Exact Mass362.09
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCOCCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C14H19FN2O6S/c1-17(2)24(20,21)10-4-5-12(15)11(8-10)14(19)23-9-13(18)16-6-7-22-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyDDRUYFPTXCIFHS-UHFFFAOYSA-N
XLogP-0.00
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620148
2-oxopropyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976393
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976213
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976449
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976303
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976445
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976443
2-(4-methoxyphenoxy)ethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976122
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 55309834
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976455
[2-(N-methylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976405
cyanomethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976390

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate (CID 7976212) is [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate is COCCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The InChIKey is DDRUYFPTXCIFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O6S/c1-17(2)24(20,21)10-4-5-12(15)11(8-10)14(19)23-9-13(18)16-6-7-22-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate has a molecular weight of 362.38 g/mol, XLogP of -0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate is sourced from PubChem (CID 7976212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).