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N-(furan-2-ylmethyl)-2-{2-[N-(2-methoxy-5-nitrophenyl)methanesulfonamido]acetamido}benzamide

N-(furan-2-ylmethyl)-2-{2-[N-(2-methoxy-5-nitrophenyl)methanesulfonamido]acetamido}benzamide

Formula: C22H22N4O8S

SMILES: COC1=CC=C(C=C1N(CC(=O)NC1=CC=CC=C1C(=O)NCC1=CC=CO1)S(C)(=O)=O)[N+]([O-])=O

IUPAC: N-[(furan-2-yl)methyl]-2-{2-[N-(2-methoxy-5-nitrophenyl)methanesulfonamido]acetamido}benzamide

InChI: InChI=1S/C22H22N4O8S/c1-33-20-10-9-15(26(29)30)12-19(20)25(35(2,31)32)14-21(27)24-18-8-4-3-7-17(18)22(28)23-13-16-6-5-11-34-16/h3-12H,13-14H2,1-2H3,(H,23,28)(H,24,27)

Composition: C (52.59%), H (4.41%), N (11.15%), O (25.47%), S (6.38%)

Molar Mass: 502.5

Atom Count: 57

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 502.115834858
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey TTXJQBPCMYTSHM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 125.76
Topological Polar Surface Area 161.09
Polarizability 47.66
Ring Count 3
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H22N4O8S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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