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N-[3-({N-[(3-acetamidophenyl)methyl]-4-tert-butylbenzenesulfonamido}methyl)phenyl]acetamide

N-[3-({N-[(3-acetamidophenyl)methyl]-4-tert-butylbenzenesulfonamido}methyl)phenyl]acetamide

CAS: 866155-45-5

Formula: C28H33N3O4S

SMILES: CC(=O)NC1=CC=CC(CN(CC2=CC(NC(C)=O)=CC=C2)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)=C1

IUPAC: N-[3-({N-[(3-acetamidophenyl)methyl]-4-tert-butylbenzenesulfonamido}methyl)phenyl]acetamide

InChI: InChI=1S/C28H33N3O4S/c1-20(32)29-25-10-6-8-22(16-25)18-31(19-23-9-7-11-26(17-23)30-21(2)33)36(34,35)27-14-12-24(13-15-27)28(3,4)5/h6-17H,18-19H2,1-5H3,(H,29,32)(H,30,33)

Composition: C (66.25%), H (6.55%), N (8.28%), O (12.61%), S (6.32%)

Molar Mass: 507.65

Atom Count: 69

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 507.219177729
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KSQSGQFAMOCNAX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 145.63
Topological Polar Surface Area 95.58
Polarizability 55.51
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866155-45-5 $51.35-$86.31$51.35$63.37$86.31
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