ethyl 2-[2-(1H-indol-3-yl)-2-oxoacetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[2-(1H-indol-3-yl)-2-oxoacetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C21H20N2O4S

SMILES: CCOC(=O)C1=C(NC(=O)C(=O)C2=CNC3=CC=CC=C23)SC2=C1CCCC2

IUPAC: ethyl 2-[2-(1H-indol-3-yl)-2-oxoacetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C21H20N2O4S/c1-2-27-21(26)17-13-8-4-6-10-16(13)28-20(17)23-19(25)18(24)14-11-22-15-9-5-3-7-12(14)15/h3,5,7,9,11,22H,2,4,6,8,10H2,1H3,(H,23,25)

Composition: C (63.62%), H (5.08%), N (7.07%), O (16.14%), S (8.09%)

Molar Mass: 396.46

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	396.114378306
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GFHSHQSRGBBJHC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	108.08
Topological Polar Surface Area	88.26
Polarizability	41.48
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00