[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate

C26H28N2O5S — CID 2715153

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2ccccc2)ccc1C
InChIInChI=1S/C26H28N2O5S/c1-3-28(23-12-8-5-9-13-23)34(31,32)24-18-22(15-14-20(24)2)26(30)33-19-25(29)27-17-16-21-10-6-4-7-11-21/h4-15,18H,3,16-17,19H2,1-2H3,(H,27,29)
InChIKeyVAPAPSIBTSXNIS-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.73
Rot. Bonds10

About [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate (PubChem CID 2715153) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
PubChem CID2715153
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2ccccc2)ccc1C
InChIInChI=1S/C26H28N2O5S/c1-3-28(23-12-8-5-9-13-23)34(31,32)24-18-22(15-14-20(24)2)26(30)33-19-25(29)27-17-16-21-10-6-4-7-11-21/h4-15,18H,3,16-17,19H2,1-2H3,(H,27,29)
InChIKeyVAPAPSIBTSXNIS-UHFFFAOYSA-N
XLogP3.73
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609248
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535076
[2-(benzylamino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588136
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-propylbenzamide
CID 18104844
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535088
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2385677
[(1S)-1-cyanoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609331
(5-acetyl-2-methoxyphenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609242
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609316
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate (CID 2715153) is [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2ccccc2)ccc1C.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The InChIKey is VAPAPSIBTSXNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-3-28(23-12-8-5-9-13-23)34(31,32)24-18-22(15-14-20(24)2)26(30)33-19-25(29)27-17-16-21-10-6-4-7-11-21/h4-15,18H,3,16-17,19H2,1-2H3,(H,27,29).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate has a molecular weight of 480.59 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 2715153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).