[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate

C17H20N4O5S2 — CID 43065293

IUPAC[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1cccs1)OCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20N4O5S2/c22-15(21-9-7-20(8-10-21)14-4-1-2-6-18-14)13-26-16(23)12-19-28(24,25)17-5-3-11-27-17/h1-6,11,19H,7-10,12-13H2
InChIKeyDPMZPAFWECXIOD-UHFFFAOYSA-N
MW424.50 g/mol
LogP0.31
Rot. Bonds7

About [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 43065293) has the molecular formula C17H20N4O5S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID43065293
Molecular FormulaC17H20N4O5S2
Molecular Weight424.50 g/mol
Exact Mass424.09
IUPAC Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1cccs1)OCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20N4O5S2/c22-15(21-9-7-20(8-10-21)14-4-1-2-6-18-14)13-26-16(23)12-19-28(24,25)17-5-3-11-27-17/h1-6,11,19H,7-10,12-13H2
InChIKeyDPMZPAFWECXIOD-UHFFFAOYSA-N
XLogP0.31
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705020
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
(4-pyridin-2-ylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9111433
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 112994673
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 27012393
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 79346353

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 43065293) is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate is O=C(CNS(=O)(=O)c1cccs1)OCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is DPMZPAFWECXIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S2/c22-15(21-9-7-20(8-10-21)14-4-1-2-6-18-14)13-26-16(23)12-19-28(24,25)17-5-3-11-27-17/h1-6,11,19H,7-10,12-13H2.
What are the key properties of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 424.50 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 43065293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).