N-(4-(2-Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride

C₁₆H₁₉ClN₂O₅SCAS 149436-41-9386.85 g/mol

Open in Covalent MOL file

Ether Ketone Primary amine Sulfonamide

Properties

Molecular formula: C₁₆H₁₉ClN₂O₅S
Molar mass: 386.85 g/mol
Exact mass: 386.0703 Da
logP: 2.42Crippen estimate
Polar surface area: 107.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7

Identifiers

CAS number

149436-41-9

SMILES

COC1=CC(=C(C=C1C(=O)CN)OC2=CC=CC=C2)NS(=O)(=O)C.Cl

InChIKey

NWUBXODWWYGUHS-UHFFFAOYSA-N

InChI

InChI=1S/C16H18N2O5S.ClH/c1-22-15-9-13(18-24(2,20)21)16(8-12(15)14(19)10-17)23-11-6-4-3-5-7-11;/h3-9,18H,10,17H2,1-2H3;1H

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Type any one amount. The others follow from the molar mass.

Work with N-(4-(2-Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride

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

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

Elsewhere

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