2-[3-[N-(4-tert-Butylbenzyl)-N-(pyridin-3-ylsulfonyl)aminomethyl]phenoxy]acetic acid

C₂₅H₂₈N₂O₅SCAS 223488-57-1468.57 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Sulfonamide

Properties

Molecular formula: C₂₅H₂₈N₂O₅S
Molar mass: 468.57 g/mol
Exact mass: 468.1719 Da
logP: 4.23Crippen estimate
Polar surface area: 96.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

223488-57-1

SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChIKey

WOHRHWDYFNWPNG-UHFFFAOYSA-N

InChI

InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)

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Names and synonyms

1 names

Evatanepag

Work with 2-[3-[N-(4-tert-Butylbenzyl)-N-(pyridin-3-ylsulfonyl)aminomethyl]phenoxy]acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[4-(1,1-Dimethylethyl)phenoxy]acetic acid1798-04-546 % similar 3-Chlorophenoxyacetic acid588-32-939 % similar 2-(3-Methylphenoxy)acetic acid1643-15-838 % similar 2-(3-Methoxyphenoxy)acetic acid2088-24-638 % similar 4-(1,1-Dimethylethyl)benzeneacetic acid32857-63-937 % similar 3-Pyridineacetic acid501-81-534 % similar Phenoxyacetic acid122-59-834 % similar 3-Pyridinepropanoic acid3724-19-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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