2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C17H20N2O4S2 — CID 6465259

IUPAC2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O4S2/c1-23-15-6-3-2-5-14(15)13-16(20)18-8-10-19(11-9-18)25(21,22)17-7-4-12-24-17/h2-7,12H,8-11,13H2,1H3
InChIKeyZAVGSGZSWLWZJG-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.83
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 6465259) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID6465259
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O4S2/c1-23-15-6-3-2-5-14(15)13-16(20)18-8-10-19(11-9-18)25(21,22)17-7-4-12-24-17/h2-7,12H,8-11,13H2,1H3
InChIKeyZAVGSGZSWLWZJG-UHFFFAOYSA-N
XLogP1.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 6465259) is 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is ZAVGSGZSWLWZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-23-15-6-3-2-5-14(15)13-16(20)18-8-10-19(11-9-18)25(21,22)17-7-4-12-24-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 380.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 6465259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).