ethyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-(4-methylphenyl)thiophene-3-carboxylate

ethyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-(4-methylphenyl)thiophene-3-carboxylate

Formula: C24H21NO5S

SMILES: CCOC(=O)C1=C(NC(=O)C=CC2=CC=C3OCOC3=C2)SC=C1C1=CC=C(C)C=C1

IUPAC: ethyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-(4-methylphenyl)thiophene-3-carboxylate

InChI: InChI=1S/C24H21NO5S/c1-3-28-24(27)22-18(17-8-4-15(2)5-9-17)13-31-23(22)25-21(26)11-7-16-6-10-19-20(12-16)30-14-29-19/h4-13H,3,14H2,1-2H3,(H,25,26)/b11-7+

Composition: C (66.19%), H (4.86%), N (3.22%), O (18.37%), S (7.36%)

Molar Mass: 435.49

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	435.114043954
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UKWLJGLLICAWBG-YRNVUSSQSA-N
Lipinski's Rule of Five
Molar Refractivity	120.32
Topological Polar Surface Area	73.86
Polarizability	46.51
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H21NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00