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N-(furan-2-ylmethyl)-2-{4-[(E)-({2-[N-(2-methylphenyl)benzenesulfonamido]acetamido}imino)methyl]phenoxy}acetamide

N-(furan-2-ylmethyl)-2-{4-[(E)-({2-[N-(2-methylphenyl)benzenesulfonamido]acetamido}imino)methyl]phenoxy}acetamide

Formula: C29H28N4O6S

SMILES: CC1=CC=CC=C1N(CC(=O)NN=CC1=CC=C(OCC(=O)NCC2=CC=CO2)C=C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: N-[(furan-2-yl)methyl]-2-{4-[(E)-({2-[N-(2-methylphenyl)benzenesulfonamido]acetamido}imino)methyl]phenoxy}acetamide

InChI: InChI=1S/C29H28N4O6S/c1-22-8-5-6-12-27(22)33(40(36,37)26-10-3-2-4-11-26)20-28(34)32-31-18-23-13-15-24(16-14-23)39-21-29(35)30-19-25-9-7-17-38-25/h2-18H,19-21H2,1H3,(H,30,35)(H,32,34)/b31-18+

Composition: C (62.13%), H (5.03%), N (9.99%), O (17.12%), S (5.72%)

Molar Mass: 560.63

Atom Count: 68

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 560.172955812
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey ZZOMHXNTQKBHHD-FDAWAROLSA-N
Lipinski's Rule of Five
Molar Refractivity 150.1
Topological Polar Surface Area 130.31
Polarizability 57.89
Ring Count 4
Rotatable Bond Count 11

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H28N4O6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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