2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

Formula: C20H14F3N3O2S2

SMILES: COC1=CC=CC=C1NC(=O)CSC1=NC(=CC(=C1C#N)C(F)(F)F)C1=CC=CS1

IUPAC: 2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

InChI: InChI=1S/C20H14F3N3O2S2/c1-28-16-6-3-2-5-14(16)25-18(27)11-30-19-12(10-24)13(20(21,22)23)9-15(26-19)17-7-4-8-29-17/h2-9H,11H2,1H3,(H,25,27)

Composition: C (53.45%), H (3.14%), F (12.68%), N (9.35%), O (7.12%), S (14.27%)

Molar Mass: 449.47

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	449.04795354
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LQJMYSDWKXXUTC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.3
Topological Polar Surface Area	75.01
Polarizability	41.99
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H14F3N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00