N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

Formula: C27H25N3O2S

SMILES: CC1CCC2=C(C1)SC(NC(=O)C1=CC(=NC3=CC=CC=C13)C1=CC=CC(C)=C1)=C2C(N)=O

IUPAC: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

InChI: InChI=1/C27H25N3O2S/c1-15-6-5-7-17(12-15)22-14-20(18-8-3-4-9-21(18)29-22)26(32)30-27-24(25(28)31)19-11-10-16(2)13-23(19)33-27/h3-9,12,14,16H,10-11,13H2,1-2H3,(H2,28,31)(H,30,32)

Composition: C (71.18%), H (5.53%), N (9.22%), O (7.02%), S (7.04%)

Molar Mass: 455.58

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	455.166748231
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CVBZHCMKVKNHKL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	132.63
Topological Polar Surface Area	85.08
Polarizability	52.11
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00