2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

C17H20N2O4S — CID 9495933

IUPAC2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2O4S/c1-23-13-17(20)18-8-10-19(11-9-18)24(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3
InChIKeyNQVCWDQPDLDEIJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.32
Rot. Bonds4

About 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 9495933) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID9495933
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2O4S/c1-23-13-17(20)18-8-10-19(11-9-18)24(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3
InChIKeyNQVCWDQPDLDEIJ-UHFFFAOYSA-N
XLogP1.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
2-(2-hydroxyphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 4807182
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 1151528
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9495897
1-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 61109396
[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 71905138
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
2-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8896201
[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 42965883
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 108569952

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 9495933) is 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone is COCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is NQVCWDQPDLDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-13-17(20)18-8-10-19(11-9-18)24(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 348.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 9495933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).