1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone

C25H27NO4S — CID 158143221

IUPAC1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(CCS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H27NO4S/c27-25(19-30-23-8-2-1-3-9-23)26-15-12-20(13-16-26)14-17-31(28,29)24-11-10-21-6-4-5-7-22(21)18-24/h1-11,18,20H,12-17,19H2
InChIKeyFUEVKOFCLXBYDO-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.32
Rot. Bonds7

About 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone

1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 158143221) has the molecular formula C25H27NO4S and a molecular weight of 437.56 g/mol. Its IUPAC name is 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID158143221
Molecular FormulaC25H27NO4S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC Name1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(CCS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H27NO4S/c27-25(19-30-23-8-2-1-3-9-23)26-15-12-20(13-16-26)14-17-31(28,29)24-11-10-21-6-4-5-7-22(21)18-24/h1-11,18,20H,12-17,19H2
InChIKeyFUEVKOFCLXBYDO-UHFFFAOYSA-N
XLogP4.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 1151528
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-(2-hydroxyphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 4807182
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426
[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 42965883
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375503
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone (CID 158143221) is 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(CCS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is FUEVKOFCLXBYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4S/c27-25(19-30-23-8-2-1-3-9-23)26-15-12-20(13-16-26)14-17-31(28,29)24-11-10-21-6-4-5-7-22(21)18-24/h1-11,18,20H,12-17,19H2.
What are the key properties of 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 437.56 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-naphthalen-2-ylsulfonylethyl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 158143221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).