2-(4-bromophenoxy)-N-[2-(4-methanesulfonylpiperazin-1-yl)phenyl]-2-methylpropanamide

2-(4-bromophenoxy)-N-[2-(4-methanesulfonylpiperazin-1-yl)phenyl]-2-methylpropanamide

Formula: C21H26BrN3O4S

SMILES: CC(C)(OC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1N1CCN(CC1)S(C)(=O)=O

IUPAC: 2-(4-bromophenoxy)-N-[2-(4-methanesulfonylpiperazin-1-yl)phenyl]-2-methylpropanamide

InChI: InChI=1S/C21H26BrN3O4S/c1-21(2,29-17-10-8-16(22)9-11-17)20(26)23-18-6-4-5-7-19(18)24-12-14-25(15-13-24)30(3,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)

Composition: C (50.81%), H (5.28%), Br (16.10%), N (8.46%), O (12.89%), S (6.46%)

Molar Mass: 496.42

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	495.082741
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	PEXCYLCJEYFMQI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.06
Topological Polar Surface Area	78.95
Polarizability	46.91
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26BrN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00