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N-[3-(N-methylmethanesulfonamido)phenyl]-2-{N-[3-(trifluoromethyl)phenyl]methanesulfonamido}acetamide

N-[3-(N-methylmethanesulfonamido)phenyl]-2-{N-[3-(trifluoromethyl)phenyl]methanesulfonamido}acetamide

Formula: C18H20F3N3O5S2

SMILES: CN(C1=CC(NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(C)(=O)=O)=CC=C1)S(C)(=O)=O

IUPAC: N-[3-(N-methylmethanesulfonamido)phenyl]-2-{N-[3-(trifluoromethyl)phenyl]methanesulfonamido}acetamide

InChI: InChI=1S/C18H20F3N3O5S2/c1-23(30(2,26)27)15-8-5-7-14(11-15)22-17(25)12-24(31(3,28)29)16-9-4-6-13(10-16)18(19,20)21/h4-11H,12H2,1-3H3,(H,22,25)

Composition: C (45.09%), H (4.20%), F (11.89%), N (8.76%), O (16.68%), S (13.37%)

Molar Mass: 479.49

Atom Count: 51

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 479.079647593
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey UQVDWQUNZRFLNR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.55
Topological Polar Surface Area 103.86
Polarizability 42.25
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H20F3N3O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H20F3N3O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote