2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C20H20N2O4S2 — CID 2450699

IUPAC2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H20N2O4S2/c23-19(15-26-18-8-3-6-16-5-1-2-7-17(16)18)21-10-12-22(13-11-21)28(24,25)20-9-4-14-27-20/h1-9,14H,10-13,15H2
InChIKeyASLGMWABCSEVLF-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.81
Rot. Bonds5

About 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 2450699) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID2450699
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H20N2O4S2/c23-19(15-26-18-8-3-6-16-5-1-2-7-17(16)18)21-10-12-22(13-11-21)28(24,25)20-9-4-14-27-20/h1-9,14H,10-13,15H2
InChIKeyASLGMWABCSEVLF-UHFFFAOYSA-N
XLogP2.81
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 2450699) is 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is O=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is ASLGMWABCSEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c23-19(15-26-18-8-3-6-16-5-1-2-7-17(16)18)21-10-12-22(13-11-21)28(24,25)20-9-4-14-27-20/h1-9,14H,10-13,15H2.
What are the key properties of 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 416.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2450699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).