2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid

C16H23NO6S — CID 59746443

IUPAC2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)O)cc1
InChIInChI=1S/C16H23NO6S/c1-22-14-5-7-15(8-6-14)24(20,21)17-10-3-2-4-13(17)9-11-23-12-16(18)19/h5-8,13H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyIDDWUKNGIMOGQX-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.73
Rot. Bonds8

About 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid

2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid (PubChem CID 59746443) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
PubChem CID59746443
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)O)cc1
InChIInChI=1S/C16H23NO6S/c1-22-14-5-7-15(8-6-14)24(20,21)17-10-3-2-4-13(17)9-11-23-12-16(18)19/h5-8,13H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyIDDWUKNGIMOGQX-UHFFFAOYSA-N
XLogP1.73
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 80676501
1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]ethanone
CID 25009090
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
2-[2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 68722665
2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 61408834
S-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl] ethanethioate
CID 15895345
N-cycloheptyl-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826844
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11934998
(2S)-1-(4-methylphenyl)sulfonyl-2-[2-[2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethoxymethoxy]ethyl]pyrrolidine
CID 171349964
4-[1-(3-methoxyphenyl)sulfonylpiperidin-2-yl]butanoic acid
CID 139020353
N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid (CID 59746443) is 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid is COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid?
The InChIKey is IDDWUKNGIMOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-22-14-5-7-15(8-6-14)24(20,21)17-10-3-2-4-13(17)9-11-23-12-16(18)19/h5-8,13H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid?
2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid has a molecular weight of 357.43 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid is sourced from PubChem (CID 59746443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).