(2E)-2-cyano-N-(2-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-enamide

(2E)-2-cyano-N-(2-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-enamide

Formula: C18H16N2O2S

SMILES: COC1=CC=CC=C1NC(=O)C(=CC1=CC=C(SC)C=C1)C#N

IUPAC: (2E)-2-cyano-N-(2-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-enamide

InChI: InChI=1S/C18H16N2O2S/c1-22-17-6-4-3-5-16(17)20-18(21)14(12-19)11-13-7-9-15(23-2)10-8-13/h3-11H,1-2H3,(H,20,21)/b14-11+

Composition: C (66.65%), H (4.97%), N (8.64%), O (9.86%), S (9.88%)

Molar Mass: 324.4

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	324.093248937
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PGIOUYJAOUQRMX-SDNWHVSQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.61
Topological Polar Surface Area	62.12
Polarizability	35.48
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00