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

C20H23N3O6S — CID 16542530

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-15(24)23-17-7-9-18(10-8-17)30(27,28)22-13-20(26)29-14-19(25)21-12-11-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyHFUVMWMOEYDTDV-UHFFFAOYSA-N
MW433.49 g/mol
LogP0.83
Rot. Bonds10

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

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 16542530) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID16542530
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-15(24)23-17-7-9-18(10-8-17)30(27,28)22-13-20(26)29-14-19(25)21-12-11-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyHFUVMWMOEYDTDV-UHFFFAOYSA-N
XLogP0.83
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 16542530) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is HFUVMWMOEYDTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-15(24)23-17-7-9-18(10-8-17)30(27,28)22-13-20(26)29-14-19(25)21-12-11-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,25)(H,23,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 433.49 g/mol, XLogP of 0.83, 10 rotatable bonds, 3 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-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 16542530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).