ethyl 2-(2H-1,3-benzodioxole-5-amido)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

ethyl 2-(2H-1,3-benzodioxole-5-amido)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Formula: C25H24N2O8S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C3OCOC3=C2)SC(C(=O)NC2=CC=C(OC)C=C2OC)=C1C

IUPAC: ethyl 2-(2H-1,3-benzodioxole-5-amido)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C25H24N2O8S/c1-5-33-25(30)20-13(2)21(23(29)26-16-8-7-15(31-3)11-18(16)32-4)36-24(20)27-22(28)14-6-9-17-19(10-14)35-12-34-17/h6-11H,5,12H2,1-4H3,(H,26,29)(H,27,28)

Composition: C (58.59%), H (4.72%), N (5.47%), O (24.97%), S (6.26%)

Molar Mass: 512.53

Atom Count: 60

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	512.125336915
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	AYCRHPHWIMGQNH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.68
Topological Polar Surface Area	121.42
Polarizability	49.9
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H24N2O8S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00