2-[(2E)-3-(naphthalen-1-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[(2E)-3-(naphthalen-1-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C22H20N2O2S

SMILES: NC(=O)C1=C(NC(=O)C=CC2=CC=CC3=CC=CC=C23)SC2=C1CCCC2

IUPAC: 2-[(2E)-3-(naphthalen-1-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1S/C22H20N2O2S/c23-21(26)20-17-10-3-4-11-18(17)27-22(20)24-19(25)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-2,5-9,12-13H,3-4,10-11H2,(H2,23,26)(H,24,25)/b13-12+

Composition: C (70.19%), H (5.35%), N (7.44%), O (8.50%), S (8.52%)

Molar Mass: 376.47

Atom Count: 47

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	376.124549066
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RYERUOCWSCYYHW-OUKQBFOZSA-N
Lipinski's Rule of Five
Molar Refractivity	110.55
Topological Polar Surface Area	72.19
Polarizability	41.88
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00