[Synonyms]
Oprea1_455579
Oprea1_534132
ZINC00882623
BAS 02827740
N-(2-Fluoro-phenyl)-2-[(4-isopropyl-phenyl)-methanesulfonyl-amino]-acetamide
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-(2-fluorophenyl)-2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]
acetamide
Canonical SMILES: CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C
InChI: InChI=1/C18H21FN2O3S/c1-13(2)14-8-10-15(11-9-14)21(25(3,
23)24)12-18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,
22)/f/h20H
Oprea1_455579
Oprea1_534132
ZINC00882623
BAS 02827740
N-(2-Fluoro-phenyl)-2-[(4-isopropyl-phenyl)-methanesulfonyl-amino]-acetamide
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 364.434343 [g/mol] |
| Molecular Formula | C18H21FN2O3S |
| XLogP | 4.1 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 5 |
| Rotatable Bond Count | 6 |
| Tautomer Count | 2 |
| Exact Mass | 364.125691 |
| MonoIsotopic Mass | 364.125691 |
| Topological Polar Surface Area | 66.5 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 539 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: N-(2-fluorophenyl)-2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]
acetamide
Canonical SMILES: CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C
InChI: InChI=1/C18H21FN2O3S/c1-13(2)14-8-10-15(11-9-14)21(25(3,
23)24)12-18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,
22)/f/h20H
