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

C23H27N3O6S — CID 55475003

IUPAC[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O6S/c1-18(27)20-7-9-21(10-8-20)33(30,31)24-15-23(29)32-17-22(28)26-13-11-25(12-14-26)16-19-5-3-2-4-6-19/h2-10,24H,11-17H2,1H3
InChIKeyIXMFIWQUFLGYRA-UHFFFAOYSA-N
MW473.55 g/mol
LogP1.06
Rot. Bonds9

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

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (PubChem CID 55475003) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
PubChem CID55475003
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O6S/c1-18(27)20-7-9-21(10-8-20)33(30,31)24-15-23(29)32-17-22(28)26-13-11-25(12-14-26)16-19-5-3-2-4-6-19/h2-10,24H,11-17H2,1H3
InChIKeyIXMFIWQUFLGYRA-UHFFFAOYSA-N
XLogP1.06
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)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-(azetidin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 166220509
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55356523
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide
CID 126202811
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 74228948
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 55479261
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3-chloro-N-(2-methylpropyl)benzenesulfonamide
CID 1007870
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 26535145
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (CID 55475003) is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The InChIKey is IXMFIWQUFLGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-18(27)20-7-9-21(10-8-20)33(30,31)24-15-23(29)32-17-22(28)26-13-11-25(12-14-26)16-19-5-3-2-4-6-19/h2-10,24H,11-17H2,1H3.
What are the key properties of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate has a molecular weight of 473.55 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 55475003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).