[2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate

C21H24N2O6S — CID 24817990

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-16(24)18-7-9-19(10-8-18)30(27,28)23-14-12-21(26)29-15-20(25)22-13-11-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3,(H,22,25)
InChIKeyDQFGTEXTACLTRK-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.46
Rot. Bonds11

About [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate

[2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate (PubChem CID 24817990) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
PubChem CID24817990
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-16(24)18-7-9-19(10-8-18)30(27,28)23-14-12-21(26)29-15-20(25)22-13-11-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3,(H,22,25)
InChIKeyDQFGTEXTACLTRK-UHFFFAOYSA-N
XLogP1.46
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
2-(4-ethylphenyl)-2-oxoethyl N-(phenylsulfonyl)glycylglycinate
CID 2166088
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-(Benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate
CID 2999757
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 4544737
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 24686731
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (2S)-2-benzamido-3-methylbutanoate
CID 24980184
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2394606
N-cyclohexyl-4-((2,6-dimethylmorpholino)sulfonyl)benzamide
CID 4138626
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
CID 3676655
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24982631

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate (CID 24817990) is [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The InChIKey is DQFGTEXTACLTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-16(24)18-7-9-19(10-8-18)30(27,28)23-14-12-21(26)29-15-20(25)22-13-11-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3,(H,22,25).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate has a molecular weight of 432.50 g/mol, XLogP of 1.46, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 24817990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).