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

C17H25N3O6S — CID 9338816

IUPAC[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCNC(=O)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C17H25N3O6S/c1-4-18-15(21)11-19-16(22)12-26-17(23)13-7-9-14(10-8-13)27(24,25)20(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySQRSZFGJDKONHZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP0.13
Rot. Bonds10

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

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 9338816) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID9338816
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCNC(=O)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C17H25N3O6S/c1-4-18-15(21)11-19-16(22)12-26-17(23)13-7-9-14(10-8-13)27(24,25)20(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySQRSZFGJDKONHZ-UHFFFAOYSA-N
XLogP0.13
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
(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
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 55314415
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557690

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 9338816) is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCNC(=O)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is SQRSZFGJDKONHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-4-18-15(21)11-19-16(22)12-26-17(23)13-7-9-14(10-8-13)27(24,25)20(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 399.47 g/mol, XLogP of 0.13, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 9338816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).