4-cyano-N-cyclohexyl-N-ethyl-5-(2-fluorobenzamido)-3-methylthiophene-2-carboxamide

4-cyano-N-cyclohexyl-N-ethyl-5-(2-fluorobenzamido)-3-methylthiophene-2-carboxamide

Formula: C22H24FN3O2S

SMILES: CCN(C1CCCCC1)C(=O)C1=C(C)C(C#N)=C(NC(=O)C2=CC=CC=C2F)S1

IUPAC: 4-cyano-N-cyclohexyl-N-ethyl-5-(2-fluorobenzamido)-3-methylthiophene-2-carboxamide

InChI: InChI=1S/C22H24FN3O2S/c1-3-26(15-9-5-4-6-10-15)22(28)19-14(2)17(13-24)21(29-19)25-20(27)16-11-7-8-12-18(16)23/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,25,27)

Composition: C (63.90%), H (5.85%), F (4.59%), N (10.16%), O (7.74%), S (7.75%)

Molar Mass: 413.51

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	413.157326362
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VVRRYHIGZSKKCE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.26
Topological Polar Surface Area	73.2
Polarizability	41.76
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24FN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00