(2E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide

(2E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide

Formula: C16H13FN2OS

SMILES: CC1=C(C)C(C#N)=C(NC(=O)C=CC2=CC=C(F)C=C2)S1

IUPAC: (2E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide

InChI: InChI=1S/C16H13FN2OS/c1-10-11(2)21-16(14(10)9-18)19-15(20)8-5-12-3-6-13(17)7-4-12/h3-8H,1-2H3,(H,19,20)/b8-5+

Composition: C (63.98%), H (4.36%), F (6.33%), N (9.33%), O (5.33%), S (10.67%)

Molar Mass: 300.35

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.073262384
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GKAAIDQPQYKYPB-VMPITWQZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.64
Topological Polar Surface Area	52.89
Polarizability	30.1
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13FN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00