N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-(4-methylphenoxy)acetamide

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-(4-methylphenoxy)acetamide

Formula: C21H22N4O6S

SMILES: COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(=O)COC3=CC=C(C)C=C3)C=C2)=C1

IUPAC: N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-(4-methylphenoxy)acetamide

InChI: InChI=1S/C21H22N4O6S/c1-14-4-8-16(9-5-14)31-13-19(26)22-15-6-10-17(11-7-15)32(27,28)25-18-12-20(29-2)24-21(23-18)30-3/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25)

Composition: C (55.01%), H (4.84%), N (12.22%), O (20.94%), S (6.99%)

Molar Mass: 458.49

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	458.126005618
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	YDGDUFZDKHMJPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.92
Topological Polar Surface Area	128.74
Polarizability	45.45
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N4O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00