ethyl 5-{4-[(4-chlorophenyl)methoxy]-3-methoxybenzamido}-4-cyano-3-methylthiophene-2-carboxylate

ethyl 5-{4-[(4-chlorophenyl)methoxy]-3-methoxybenzamido}-4-cyano-3-methylthiophene-2-carboxylate

Formula: C24H21ClN2O5S

SMILES: CCOC(=O)C1=C(C)C(C#N)=C(NC(=O)C2=CC=C(OCC3=CC=C(Cl)C=C3)C(OC)=C2)S1

IUPAC: ethyl 5-{4-[(4-chlorophenyl)methoxy]-3-methoxybenzamido}-4-cyano-3-methylthiophene-2-carboxylate

InChI: InChI=1S/C24H21ClN2O5S/c1-4-31-24(29)21-14(2)18(12-26)23(33-21)27-22(28)16-7-10-19(20(11-16)30-3)32-13-15-5-8-17(25)9-6-15/h5-11H,4,13H2,1-3H3,(H,27,28)

Composition: C (59.44%), H (4.36%), Cl (7.31%), N (5.78%), O (16.50%), S (6.61%)

Molar Mass: 484.95

Atom Count: 54

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	484.0859707
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QINAYDKEMAVTEB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.52
Topological Polar Surface Area	97.65
Polarizability	48.04
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H21ClN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00