N-(2,6-dimethylphenyl)-2-(2-fluorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

N-(2,6-dimethylphenyl)-2-(2-fluorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C25H25FN2O2S

SMILES: CC1=CC=CC(C)=C1NC(=O)C1=C(NC(=O)C2=CC=CC=C2F)SC2=C1CCCCC2

IUPAC: N-(2,6-dimethylphenyl)-2-(2-fluorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C25H25FN2O2S/c1-15-9-8-10-16(2)22(15)27-24(30)21-18-12-4-3-5-14-20(18)31-25(21)28-23(29)17-11-6-7-13-19(17)26/h6-11,13H,3-5,12,14H2,1-2H3,(H,27,30)(H,28,29)

Composition: C (68.78%), H (5.77%), F (4.35%), N (6.42%), O (7.33%), S (7.34%)

Molar Mass: 436.55

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	436.16207739
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	GTDBJIYJQADKDD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	125.71
Topological Polar Surface Area	58.2
Polarizability	45.73
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25FN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00