[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate

C24H22N2O6S — CID 55927206

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O6S/c1-17(26-33(30,31)21-10-6-3-7-11-21)24(29)32-16-22(27)18-12-14-20(15-13-18)25-23(28)19-8-4-2-5-9-19/h2-15,17,26H,16H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyVUSCKDWLOPWXSM-KRWDZBQOSA-N
MW466.52 g/mol
LogP3.03
Rot. Bonds9

About [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate

[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate (PubChem CID 55927206) has the molecular formula C24H22N2O6S and a molecular weight of 466.52 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
PubChem CID55927206
Molecular FormulaC24H22N2O6S
Molecular Weight466.52 g/mol
Exact Mass466.12
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O6S/c1-17(26-33(30,31)21-10-6-3-7-11-21)24(29)32-16-22(27)18-12-14-20(15-13-18)25-23(28)19-8-4-2-5-9-19/h2-15,17,26H,16H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyVUSCKDWLOPWXSM-KRWDZBQOSA-N
XLogP3.03
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
methyl 4-[[2-[(2S)-2-(benzenesulfonamido)propanoyl]oxyacetyl]amino]benzoate
CID 55937437
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
butyl 4-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate
CID 55326461
[2-(4-tert-butylphenyl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565544
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928416
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 7571920
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927313
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate (CID 55927206) is [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
The InChIKey is VUSCKDWLOPWXSM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22N2O6S/c1-17(26-33(30,31)21-10-6-3-7-11-21)24(29)32-16-22(27)18-12-14-20(15-13-18)25-23(28)19-8-4-2-5-9-19/h2-15,17,26H,16H2,1H3,(H,25,28)/t17-/m0/s1.
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate has a molecular weight of 466.52 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate is sourced from PubChem (CID 55927206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).