ethyl 5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate

ethyl 5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate

Formula: C27H30N2O9S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC(OC)=C(OC)C(OC)=C2)SC(C(=O)NC2=CC=C(OC)C=C2OC)=C1C

IUPAC: ethyl 5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate

InChI: InChI=1S/C27H30N2O9S/c1-8-38-27(32)21-14(2)23(25(31)28-17-10-9-16(33-3)13-18(17)34-4)39-26(21)29-24(30)15-11-19(35-5)22(37-7)20(12-15)36-6/h9-13H,8H2,1-7H3,(H,28,31)(H,29,30)

Composition: C (58.06%), H (5.41%), N (5.02%), O (25.78%), S (5.74%)

Molar Mass: 558.6

Atom Count: 69

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	558.167201728
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	JUMJKWTYTPEGJY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	147.31
Topological Polar Surface Area	130.65
Polarizability	55
Ring Count	3
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H30N2O9S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00