2-{2-[N-(3,4-dimethylphenyl)benzenesulfonamido]acetamido}-N-(prop-2-en-1-yl)benzamide

2-{2-[N-(3,4-dimethylphenyl)benzenesulfonamido]acetamido}-N-(prop-2-en-1-yl)benzamide

Formula: C26H27N3O4S

SMILES: CC1=CC=C(C=C1C)N(CC(=O)NC1=CC=CC=C1C(=O)NCC=C)S(=O)(=O)C1=CC=CC=C1

IUPAC: 2-{2-[N-(3,4-dimethylphenyl)benzenesulfonamido]acetamido}-N-(prop-2-en-1-yl)benzamide

InChI: InChI=1S/C26H27N3O4S/c1-4-16-27-26(31)23-12-8-9-13-24(23)28-25(30)18-29(21-15-14-19(2)20(3)17-21)34(32,33)22-10-6-5-7-11-22/h4-15,17H,1,16,18H2,2-3H3,(H,27,31)(H,28,30)

Composition: C (65.39%), H (5.70%), N (8.80%), O (13.40%), S (6.71%)

Molar Mass: 477.58

Atom Count: 61

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	477.172227535
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KUPOBDKHGOAVAZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.37
Topological Polar Surface Area	95.58
Polarizability	51.31
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00