ethyl 2-[2-(naphthalen-2-yloxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[2-(naphthalen-2-yloxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C23H23NO4S

SMILES: CCOC(=O)C1=C(NC(=O)COC2=CC3=CC=CC=C3C=C2)SC2=C1CCCC2

IUPAC: ethyl 2-[2-(naphthalen-2-yloxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C23H23NO4S/c1-2-27-23(26)21-18-9-5-6-10-19(18)29-22(21)24-20(25)14-28-17-12-11-15-7-3-4-8-16(15)13-17/h3-4,7-8,11-13H,2,5-6,9-10,14H2,1H3,(H,24,25)

Composition: C (67.46%), H (5.66%), N (3.42%), O (15.63%), S (7.83%)

Molar Mass: 409.5

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	409.134779399
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DGFDIUCJYADZGZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.79
Topological Polar Surface Area	64.63
Polarizability	44.39
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H23NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00