N-{3-carbamoyl-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-ethylphenyl)quinoline-4-carboxamide

N-{3-carbamoyl-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-ethylphenyl)quinoline-4-carboxamide

Formula: C29H29N3O2S

SMILES: CCC1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=C1)C(=O)NC1=C(C(N)=O)C2=C(CCCCCC2)S1

IUPAC: N-{3-carbamoyl-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-ethylphenyl)quinoline-4-carboxamide

InChI: InChI=1S/C29H29N3O2S/c1-2-18-13-15-19(16-14-18)24-17-22(20-9-7-8-11-23(20)31-24)28(34)32-29-26(27(30)33)21-10-5-3-4-6-12-25(21)35-29/h7-9,11,13-17H,2-6,10,12H2,1H3,(H2,30,33)(H,32,34)

Composition: C (72.02%), H (6.04%), N (8.69%), O (6.62%), S (6.63%)

Molar Mass: 483.63

Atom Count: 64

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	483.19804836
Formal Charge	0
FSP3	0.28
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CCOWLBWEMPLWLS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	141.89
Topological Polar Surface Area	85.08
Polarizability	55.8
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H29N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00