[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

C18H20FN3O5S2 — CID 55705020

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1cccs1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O5S2/c19-14-3-5-15(6-4-14)21-7-9-22(10-8-21)16(23)13-27-17(24)12-20-29(25,26)18-2-1-11-28-18/h1-6,11,20H,7-10,12-13H2
InChIKeyWAHSYJWJQHIIQE-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.06
Rot. Bonds7

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 55705020) has the molecular formula C18H20FN3O5S2 and a molecular weight of 441.51 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID55705020
Molecular FormulaC18H20FN3O5S2
Molecular Weight441.51 g/mol
Exact Mass441.08
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1cccs1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O5S2/c19-14-3-5-15(6-4-14)21-7-9-22(10-8-21)16(23)13-27-17(24)12-20-29(25,26)18-2-1-11-28-18/h1-6,11,20H,7-10,12-13H2
InChIKeyWAHSYJWJQHIIQE-UHFFFAOYSA-N
XLogP1.06
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065293
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 7750224
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 112991880
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31228874
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-thiophen-2-ylacetamide
CID 113097730
N-[[(2R,3R,4S,5S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]thiophene-2-sulfonamide
CID 28961861

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 55705020) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is O=C(CNS(=O)(=O)c1cccs1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is WAHSYJWJQHIIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S2/c19-14-3-5-15(6-4-14)21-7-9-22(10-8-21)16(23)13-27-17(24)12-20-29(25,26)18-2-1-11-28-18/h1-6,11,20H,7-10,12-13H2.
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 441.51 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 55705020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).