ethyl 5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-2-(2-fluorobenzamido)-4-methylthiophene-3-carboxylate

ethyl 5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-2-(2-fluorobenzamido)-4-methylthiophene-3-carboxylate

Formula: C23H19FN2O6S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=CC=C2F)SC(C(=O)NC2=CC=C3OCOC3=C2)=C1C

IUPAC: ethyl 5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-2-(2-fluorobenzamido)-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C23H19FN2O6S/c1-3-30-23(29)18-12(2)19(21(28)25-13-8-9-16-17(10-13)32-11-31-16)33-22(18)26-20(27)14-6-4-5-7-15(14)24/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27)

Composition: C (58.72%), H (4.07%), F (4.04%), N (5.95%), O (20.40%), S (6.81%)

Molar Mass: 470.47

Atom Count: 52

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	470.094785677
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XCKXTNMAIXOUAI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	120.97
Topological Polar Surface Area	102.96
Polarizability	44.55
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19FN2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00