[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C19H22N2O5S — CID 7839571

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-7-9-17(10-8-15)27(24,25)21-13-19(23)26-14-18(22)20-12-11-16-5-3-2-4-6-16/h2-10,21H,11-14H2,1H3,(H,20,22)
InChIKeyPWOKIOZFFNIAAT-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.18
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 7839571) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID7839571
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-7-9-17(10-8-15)27(24,25)21-13-19(23)26-14-18(22)20-12-11-16-5-3-2-4-6-16/h2-10,21H,11-14H2,1H3,(H,20,22)
InChIKeyPWOKIOZFFNIAAT-UHFFFAOYSA-N
XLogP1.18
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 7839571) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is PWOKIOZFFNIAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-15-7-9-17(10-8-15)27(24,25)21-13-19(23)26-14-18(22)20-12-11-16-5-3-2-4-6-16/h2-10,21H,11-14H2,1H3,(H,20,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 390.46 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 7839571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).