[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

C15H22N2O5S — CID 2364687

IUPAC[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-14(18)11-22-15(19)12-7-9-13(10-8-12)23(20,21)17(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H,16,18)
InChIKeyBJJAGARMEFBHSZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.01
Rot. Bonds8

About [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 2364687) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID2364687
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-14(18)11-22-15(19)12-7-9-13(10-8-12)23(20,21)17(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H,16,18)
InChIKeyBJJAGARMEFBHSZ-UHFFFAOYSA-N
XLogP1.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 9338816
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377113
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55314582
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557690
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 55314415
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 2364687) is [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is BJJAGARMEFBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-16-14(18)11-22-15(19)12-7-9-13(10-8-12)23(20,21)17(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H,16,18).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 342.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2364687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).