[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

C22H26N4O6S — CID 3937999

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O6S/c1-17(27)24-18-7-9-20(10-8-18)33(30,31)23-15-22(29)32-16-21(28)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,23H,11-16H2,1H3,(H,24,27)
InChIKeyPSHPUHPVHORZAN-UHFFFAOYSA-N
MW474.54 g/mol
LogP0.82
Rot. Bonds8

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 3937999) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID3937999
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O6S/c1-17(27)24-18-7-9-20(10-8-18)33(30,31)23-15-22(29)32-16-21(28)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,23H,11-16H2,1H3,(H,24,27)
InChIKeyPSHPUHPVHORZAN-UHFFFAOYSA-N
XLogP0.82
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
Propanamide, N-(4-aminosulfonylphenyl)-3-(4-morpholyl)-
CID 567846
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
Carbamic acid, (4-(4-morpholinylsulfonyl)phenyl)-, ethyl ester
CID 3067696
Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester
CID 2185728
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976
{(2-{Carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
CID 3441996
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
Methyl 4-[4-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
CID 56954217

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 3937999) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is PSHPUHPVHORZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-17(27)24-18-7-9-20(10-8-18)33(30,31)23-15-22(29)32-16-21(28)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,23H,11-16H2,1H3,(H,24,27).
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 474.54 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 3937999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).