CHEMBL91434
C₁₆H₁₈N₂O₅S·350.400 g/mol·CID 9841323
IUPAC: 2-amino-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide
Also known as: BDBM50105457, 2-Amino-N-hydroxy-2-methyl-3-(4-phenoxy-benzenesulfonyl)-propionamide
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
350.400g/mol
Exact Mass
350.093643Da
Monoisotopic Mass
350.093643Da
XLogP
0.8
Polar Surface Area
127.0Ų
Complexity
519
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
24
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 350.4 g/mol
MW ≤ 500
✓ 0.8
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 6
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H18N2O5S/c1-16(17,15(19)18-20)11-24(21,22)14-9-7-13(8-10-14)23-12-5-3-2-4-6-12/h2-10,20H,11,17H2,1H3,(H,18,19)
Isomers8 compounds with formula C₁₆H₁₈N₂O₅S
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 6869 · 350.4 g/mol
3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 4731 · 350.4 g/mol
N-hydroxy-2-[2-hydroxyethyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 24178109 · 350.4 g/mol
(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 120720 · 350.4 g/mol
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10594000 · 350.4 g/mol
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 2800759 · 350.4 g/mol
2-(4-ethoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1193007 · 350.4 g/mol
N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 5348459 · 350.4 g/mol