5-benzyl-2-[2-(4-bromo-3-methylphenoxy)acetamido]-4-methylthiophene-3-carboxamide

5-benzyl-2-[2-(4-bromo-3-methylphenoxy)acetamido]-4-methylthiophene-3-carboxamide

Formula: C22H21BrN2O3S

SMILES: CC1=C(CC2=CC=CC=C2)SC(NC(=O)COC2=CC=C(Br)C(C)=C2)=C1C(N)=O

IUPAC: 5-benzyl-2-[2-(4-bromo-3-methylphenoxy)acetamido]-4-methylthiophene-3-carboxamide

InChI: InChI=1S/C22H21BrN2O3S/c1-13-10-16(8-9-17(13)23)28-12-19(26)25-22-20(21(24)27)14(2)18(29-22)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,24,27)(H,25,26)

Composition: C (55.82%), H (4.47%), Br (16.88%), N (5.92%), O (10.14%), S (6.77%)

Molar Mass: 473.39

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	472.045627
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NESRKUSNHRBYPN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	119.61
Topological Polar Surface Area	81.42
Polarizability	44.66
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00