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2-[N-(4-fluorophenyl)-4-methylbenzenesulfonamido]-N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}acetamide

2-[N-(4-fluorophenyl)-4-methylbenzenesulfonamido]-N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}acetamide

Formula: C22H23FN2O4S2

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC1=CC=CO1)C1=CC=C(F)C=C1

IUPAC: 2-[N-(4-fluorophenyl)-4-methylbenzenesulfonamido]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)acetamide

InChI: InChI=1S/C22H23FN2O4S2/c1-17-4-10-21(11-5-17)31(27,28)25(19-8-6-18(23)7-9-19)15-22(26)24-12-14-30-16-20-3-2-13-29-20/h2-11,13H,12,14-16H2,1H3,(H,24,26)

Composition: C (57.13%), H (5.01%), F (4.11%), N (6.06%), O (13.84%), S (13.86%)

Molar Mass: 462.55

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 462.10832774
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OSIRUVLZXDGJKP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.18
Topological Polar Surface Area 79.62
Polarizability 46.6
Ring Count 3
Rotatable Bond Count 9

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H23FN2O4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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