3-(2-fluorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

HCID 4875399

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Basic information

CAS: 790721-98-1
Standard SMILES: COc1ccc(NC(=O)CCOc2ccccc2F)cc1S(=O)(=O)N1CCCCC1
InChIKey: VXSNLNIKTKTRLK-UHFFFAOYSA-N
Molecular formula: C21H25FN2O5S
Average molar mass: 436.5 g/mol
Monoisotopic mass: 436.14682124

Names & identifiers

Preferred name: 3-(2-fluorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
IUPAC: 3-(2-fluorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

Names & synonyms

3-(2-fluorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamideMLS002248262CHEMBL1726715DTXSID301332338HMS3084N07AKOS034060285790721-98-1SMR001315738Z286223203-(2-fluorophenoxy)-N-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]propanamide

Database identifiers

CAS: 790721-98-1
PubChem CID: 4875399
DTXSID: DTXSID301332338
ChEMBL: CHEMBL1726715

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 93.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 650

Experimental & physicochemical properties

Solubility34.8 [ug/mL] (The mean of the results at pH 7.4)

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