2-(N-benzyl-2,4,6-trimethylbenzenesulfonamido)-1-phenylpropyl acetate

2-(N-benzyl-2,4,6-trimethylbenzenesulfonamido)-1-phenylpropyl acetate

CAS: 240423-53-4

Formula: C27H31NO4S

SMILES: CC(C(OC(C)=O)C1=CC=CC=C1)N(CC1=CC=CC=C1)S(=O)(=O)C1=C(C)C=C(C)C=C1C

IUPAC: 2-(N-benzyl-2,4,6-trimethylbenzenesulfonamido)-1-phenylpropyl acetate

InChI: InChI=1/C27H31NO4S/c1-19-16-20(2)27(21(3)17-19)33(30,31)28(18-24-12-8-6-9-13-24)22(4)26(32-23(5)29)25-14-10-7-11-15-25/h6-17,22,26H,18H2,1-5H3

Composition: C (69.65%), H (6.71%), N (3.01%), O (13.74%), S (6.89%)

Molar Mass: 465.61

Atom Count: 64

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	465.197379656
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MCELVTKIIIBSDU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	131.89
Topological Polar Surface Area	63.68
Polarizability	51.89
Ring Count	3
Rotatable Bond Count	8

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