1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone

C25H28N4O5S — CID 159757497

IUPAC1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone
SMILESO=C(COC1CCCCO1)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1
InChIInChI=1S/C25H28N4O5S/c30-23(18-34-25-7-3-4-14-33-25)22-16-27-24(17-26-22)28-10-12-29(13-11-28)35(31,32)21-9-8-19-5-1-2-6-20(19)15-21/h1-2,5-6,8-9,15-17,25H,3-4,7,10-14,18H2
InChIKeyNELLYYMSYQHEQY-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.87
Rot. Bonds7

About 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone

1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone (PubChem CID 159757497) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone
PubChem CID159757497
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone
SMILESO=C(COC1CCCCO1)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1
InChIInChI=1S/C25H28N4O5S/c30-23(18-34-25-7-3-4-14-33-25)22-16-27-24(17-26-22)28-10-12-29(13-11-28)35(31,32)21-9-8-19-5-1-2-6-20(19)15-21/h1-2,5-6,8-9,15-17,25H,3-4,7,10-14,18H2
InChIKeyNELLYYMSYQHEQY-UHFFFAOYSA-N
XLogP2.87
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
CID 158186855
1-[2-[3-[(dimethylamino)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-yl]pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
CID 153163114
2-[(3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-yl)amino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 59367593
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 69411310
methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
CID 58845099
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 24585778
2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8692224
5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122052854
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
2-(2-hydroxyphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 4807182

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone?
The IUPAC name of 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone (CID 159757497) is 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone.
What is the SMILES notation for 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone?
The canonical SMILES for 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone is O=C(COC1CCCCO1)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1.
What is the InChIKey of 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone?
The InChIKey is NELLYYMSYQHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-23(18-34-25-7-3-4-14-33-25)22-16-27-24(17-26-22)28-10-12-29(13-11-28)35(31,32)21-9-8-19-5-1-2-6-20(19)15-21/h1-2,5-6,8-9,15-17,25H,3-4,7,10-14,18H2.
What are the key properties of 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone?
1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone has a molecular weight of 496.59 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone is sourced from PubChem (CID 159757497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).