N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]naphthalene-1-carboxamide

N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]naphthalene-1-carboxamide

Formula: C25H26N2OS

SMILES: CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)C1=CC=CC3=CC=CC=C13)=C2C#N

IUPAC: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]naphthalene-1-carboxamide

InChI: InChI=1/C25H26N2OS/c1-4-25(2,3)17-12-13-19-21(15-26)24(29-22(19)14-17)27-23(28)20-11-7-9-16-8-5-6-10-18(16)20/h5-11,17H,4,12-14H2,1-3H3,(H,27,28)

Composition: C (74.59%), H (6.51%), N (6.96%), O (3.97%), S (7.96%)

Molar Mass: 402.56

Atom Count: 55

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	402.176584639
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FMOQIPJYTNGFFY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	120.22
Topological Polar Surface Area	52.89
Polarizability	46.65
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H26N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00