[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

C25H26N2O6S — CID 16527095

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O6S/c1-2-32-20-12-14-21(15-13-20)34(30,31)27-23-11-7-6-10-22(23)25(29)33-18-24(28)26-17-16-19-8-4-3-5-9-19/h3-15,27H,2,16-18H2,1H3,(H,26,28)
InChIKeySLUOMZMXHMZORH-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.40
Rot. Bonds11

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 16527095) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID16527095
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O6S/c1-2-32-20-12-14-21(15-13-20)34(30,31)27-23-11-7-6-10-22(23)25(29)33-18-24(28)26-17-16-19-8-4-3-5-9-19/h3-15,27H,2,16-18H2,1H3,(H,26,28)
InChIKeySLUOMZMXHMZORH-UHFFFAOYSA-N
XLogP3.40
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2550720
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 43033031
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530371

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 16527095) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is SLUOMZMXHMZORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-2-32-20-12-14-21(15-13-20)34(30,31)27-23-11-7-6-10-22(23)25(29)33-18-24(28)26-17-16-19-8-4-3-5-9-19/h3-15,27H,2,16-18H2,1H3,(H,26,28).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 482.56 g/mol, XLogP of 3.40, 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] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16527095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).