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

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

Formula: C19H19F3N2O2S

SMILES: CC1=CC=C(NC(=O)C2=C(NC(=O)C(F)(F)F)SC3=C2CCCCC3)C=C1

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

InChI: InChI=1S/C19H19F3N2O2S/c1-11-7-9-12(10-8-11)23-16(25)15-13-5-3-2-4-6-14(13)27-17(15)24-18(26)19(20,21)22/h7-10H,2-6H2,1H3,(H,23,25)(H,24,26)

Composition: C (57.57%), H (4.83%), F (14.38%), N (7.07%), O (8.07%), S (8.09%)

Molar Mass: 396.43

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	396.111933523
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KMENWDJUNLBVEZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	100.79
Topological Polar Surface Area	58.2
Polarizability	35.91
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19F3N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00