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2-{2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamido]acetamido}-N-(2-methylpropyl)benzamide

2-{2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamido]acetamido}-N-(2-methylpropyl)benzamide

Formula: C22H27N3O6S

SMILES: CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC=C2OCCOC2=C1)S(C)(=O)=O

IUPAC: 2-{2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamido]acetamido}-N-(2-methylpropyl)benzamide

InChI: InChI=1S/C22H27N3O6S/c1-15(2)13-23-22(27)17-6-4-5-7-18(17)24-21(26)14-25(32(3,28)29)16-8-9-19-20(12-16)31-11-10-30-19/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,27)(H,24,26)

Composition: C (57.25%), H (5.90%), N (9.10%), O (20.80%), S (6.95%)

Molar Mass: 461.53

Atom Count: 59

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 461.162056775
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey TZFXXOHALJGFRV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.68
Topological Polar Surface Area 114.04
Polarizability 46.53
Ring Count 3
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H27N3O6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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