1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone

C26H27NO5S — CID 90591858

IUPAC1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C26H27NO5S/c1-31-22-11-13-24(14-12-22)33(29,30)25-15-17-27(18-16-25)26(28)19-32-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-14,25H,15-19H2,1H3
InChIKeyJZHMWTWQJNPILG-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.21
Rot. Bonds7

About 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone

1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone (PubChem CID 90591858) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
PubChem CID90591858
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C26H27NO5S/c1-31-22-11-13-24(14-12-22)33(29,30)25-15-17-27(18-16-25)26(28)19-32-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-14,25H,15-19H2,1H3
InChIKeyJZHMWTWQJNPILG-UHFFFAOYSA-N
XLogP4.21
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90591930
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
4,4,4-trifluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591882
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
2-(1,2-benzoxazol-3-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]ethanone
CID 90591901
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90589590
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone (CID 90591858) is 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone?
The InChIKey is JZHMWTWQJNPILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-31-22-11-13-24(14-12-22)33(29,30)25-15-17-27(18-16-25)26(28)19-32-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-14,25H,15-19H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone?
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone has a molecular weight of 465.57 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone is sourced from PubChem (CID 90591858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).