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

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

Formula: C21H22N4O4S

SMILES: CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=O)COC3=CC=CC=C3C)C=C2)=N1

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

InChI: InChI=1S/C21H22N4O4S/c1-14-6-4-5-7-19(14)29-13-20(26)24-17-8-10-18(11-9-17)30(27,28)25-21-22-15(2)12-16(3)23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)

Composition: C (59.14%), H (5.20%), N (13.14%), O (15.01%), S (7.52%)

Molar Mass: 426.49

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	426.136176378
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LHRCYEYHADVEBT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.55
Topological Polar Surface Area	110.28
Polarizability	43.86
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C21H22N4O4S		Quote Only