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799259-73-7 | N-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-(2-ethyl-phenyl)-methanesulfonamide
CAS No: 799259-73-7 Catalog No: AG01F36I MDL No:
Product Description
Catalog Number:
AG01F36I
Chemical Name:
N-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-(2-ethyl-phenyl)-methanesulfonamide
CAS Number:
799259-73-7
Molecular Formula:
C20H24N2O3S
Molecular Weight:
372.4812
IUPAC Name:
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
InChI:
InChI=1S/C20H24N2O3S/c1-3-16-8-6-7-11-19(16)22(26(2,24)25)15-20(23)21-13-12-17-9-4-5-10-18(17)14-21/h4-11H,3,12-15H2,1-2H3
InChI Key:
JALJERDYWWNPBY-UHFFFAOYSA-N
SMILES:
CCc1ccccc1N(S(=O)(=O)C)CC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.151g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.483g/mol
Monoisotopic Mass:
372.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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