ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-(thiophene-2-amido)thiophene-3-carboxylate

ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-(thiophene-2-amido)thiophene-3-carboxylate

Formula: C21H20N2O4S2

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=CS2)SC(C(=O)NC2=CC=C(C)C=C2)=C1C

IUPAC: ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-(thiophene-2-amido)thiophene-3-carboxylate

InChI: InChI=1S/C21H20N2O4S2/c1-4-27-21(26)16-13(3)17(19(25)22-14-9-7-12(2)8-10-14)29-20(16)23-18(24)15-6-5-11-28-15/h5-11H,4H2,1-3H3,(H,22,25)(H,23,24)

Composition: C (58.86%), H (4.70%), N (6.54%), O (14.93%), S (14.96%)

Molar Mass: 428.52

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	428.08644948
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CDOYTUXPSXKVGX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	116.92
Topological Polar Surface Area	84.5
Polarizability	42.76
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N2O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00