[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate

C24H30N2O6S — CID 4544737

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H30N2O6S/c1-24(2,3)19-8-6-18(7-9-19)21(27)12-13-23(29)32-16-22(28)26-15-14-17-4-10-20(11-5-17)33(25,30)31/h4-11H,12-16H2,1-3H3,(H,26,28)(H2,25,30,31)
InChIKeyUKFVKNZXCRNJTD-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.50
Rot. Bonds10

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate (PubChem CID 4544737) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
PubChem CID4544737
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H30N2O6S/c1-24(2,3)19-8-6-18(7-9-19)21(27)12-13-23(29)32-16-22(28)26-15-14-17-4-10-20(11-5-17)33(25,30)31/h4-11H,12-16H2,1-3H3,(H,26,28)(H2,25,30,31)
InChIKeyUKFVKNZXCRNJTD-UHFFFAOYSA-N
XLogP2.50
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate with MolForge

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Related Compounds

[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
2-(4-ethylphenyl)-2-oxoethyl N-(phenylsulfonyl)glycylglycinate
CID 2166088
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2433703
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (2S)-2-benzamido-3-methylbutanoate
CID 24980184
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
CID 3676655
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 24817990
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 25162471
Methyl 4-[[[2-[2-[(4-methylphenyl)sulfonylamino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 2373819
4-[(4-tert-butylbenzenesulfonamido)methyl]-N-[(oxolan-2-yl)methyl]benzamide
CID 2959200
4-[(4-tert-butylbenzenesulfonamido)methyl]-N-(2-methoxyethyl)benzamide
CID 2215242
[2-(4-Fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 2340548
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 4786273

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate (CID 4544737) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate is CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
The InChIKey is UKFVKNZXCRNJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-24(2,3)19-8-6-18(7-9-19)21(27)12-13-23(29)32-16-22(28)26-15-14-17-4-10-20(11-5-17)33(25,30)31/h4-11H,12-16H2,1-3H3,(H,26,28)(H2,25,30,31).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate has a molecular weight of 474.58 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate is sourced from PubChem (CID 4544737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).