2-{[6-(Ethoxymethyl)pyridin-2-yl]amino}-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide

HCID 59525645

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOCc1cccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)n1
InChIKey: ORDODNYOMFSQSD-UHFFFAOYSA-N
Molecular formula: C22H24FN3O3S
Average molar mass: 429.5 g/mol
Monoisotopic mass: 429.15224097

Names & identifiers

Preferred name: 2-{[6-(Ethoxymethyl)pyridin-2-yl]amino}-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide
IUPAC: 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

Names & synonyms

SCHEMBL3508867ORDODNYOMFSQSD-UHFFFAOYSA-N2-{[6-(Ethoxymethyl)pyridin-2-yl]amino}-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide

Database identifiers

PubChem CID: 59525645

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 126 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 582

Related reactions

2 records

New reaction record

HRID 385872As productuspto-grants-2013_02

HRID 823257As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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