ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-({[(2-methylphenyl)formamido]methanethioyl}amino)thiophene-3-carboxylate

ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-({[(2-methylphenyl)formamido]methanethioyl}amino)thiophene-3-carboxylate

Formula: C25H26N2O5S2

SMILES: CCOC(=O)C1=C(NC(=S)NC(=O)C2=CC=CC=C2C)SC(C)=C1C1=CC=C(OC)C(OC)=C1

IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-({[(2-methylphenyl)formamido]methanethioyl}amino)thiophene-3-carboxylate

InChI: InChI=1S/C25H26N2O5S2/c1-6-32-24(29)21-20(16-11-12-18(30-4)19(13-16)31-5)15(3)34-23(21)27-25(33)26-22(28)17-10-8-7-9-14(17)2/h7-13H,6H2,1-5H3,(H2,26,27,28,33)

Composition: C (60.22%), H (5.26%), N (5.62%), O (16.04%), S (12.86%)

Molar Mass: 498.61

Atom Count: 60

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	498.128314293
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SBTDPJPGEXJVMY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	139.02
Topological Polar Surface Area	85.89
Polarizability	53.61
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H26N2O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00