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

C16H18N2O4S2 — CID 1245926

IUPAC2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H18N2O4S2/c19-15(13-22-14-5-2-1-3-6-14)17-8-10-18(11-9-17)24(20,21)16-7-4-12-23-16/h1-7,12H,8-11,13H2
InChIKeySOUBFYITSALFGH-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.66
Rot. Bonds5

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

2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 1245926) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID1245926
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H18N2O4S2/c19-15(13-22-14-5-2-1-3-6-14)17-8-10-18(11-9-17)24(20,21)16-7-4-12-23-16/h1-7,12H,8-11,13H2
InChIKeySOUBFYITSALFGH-UHFFFAOYSA-N
XLogP1.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 1245926) is 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is SOUBFYITSALFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-15(13-22-14-5-2-1-3-6-14)17-8-10-18(11-9-17)24(20,21)16-7-4-12-23-16/h1-7,12H,8-11,13H2.
What are the key properties of 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 366.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1245926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).