methyl 2-[(2E)-3-phenylprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[(2E)-3-phenylprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C19H19NO3S

SMILES: COC(=O)C1=C(NC(=O)C=CC2=CC=CC=C2)SC2=C1CCCC2

IUPAC: methyl 2-[(2E)-3-phenylprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C19H19NO3S/c1-23-19(22)17-14-9-5-6-10-15(14)24-18(17)20-16(21)12-11-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,20,21)/b12-11+

Composition: C (66.84%), H (5.61%), N (4.10%), O (14.06%), S (9.39%)

Molar Mass: 341.43

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	341.10856465
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ONJSEDIWRNOIFQ-VAWYXSNFSA-N
Lipinski's Rule of Five
Molar Refractivity	97.05
Topological Polar Surface Area	55.4
Polarizability	35.98
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00