[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate

C24H29N3O6S — CID 55356523

IUPAC[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O6S/c1-18(28)21-8-10-22(11-9-21)34(31,32)25-16-23(29)33-19(2)24(30)27-14-12-26(13-15-27)17-20-6-4-3-5-7-20/h3-11,19,25H,12-17H2,1-2H3
InChIKeyQIIFEKIJZMYEDV-UHFFFAOYSA-N
MW487.58 g/mol
LogP1.44
Rot. Bonds9

About [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate

[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate (PubChem CID 55356523) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
PubChem CID55356523
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O6S/c1-18(28)21-8-10-22(11-9-21)34(31,32)25-16-23(29)33-19(2)24(30)27-14-12-26(13-15-27)17-20-6-4-3-5-7-20/h3-11,19,25H,12-17H2,1-2H3
InChIKeyQIIFEKIJZMYEDV-UHFFFAOYSA-N
XLogP1.44
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55475003
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55475903
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311623
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
CID 55355067
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16569621
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 74228948
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8603350
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55421866
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate (CID 55356523) is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The canonical SMILES for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate is CC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The InChIKey is QIIFEKIJZMYEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-18(28)21-8-10-22(11-9-21)34(31,32)25-16-23(29)33-19(2)24(30)27-14-12-26(13-15-27)17-20-6-4-3-5-7-20/h3-11,19,25H,12-17H2,1-2H3.
What are the key properties of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate has a molecular weight of 487.58 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 55356523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).