2-[2-(azepan-1-yl)acetamido]-N-(2-fluorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[2-(azepan-1-yl)acetamido]-N-(2-fluorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C24H30FN3O2S

SMILES: CC1CCC2=C(C1)SC(NC(=O)CN1CCCCCC1)=C2C(=O)NC1=CC=CC=C1F

IUPAC: 2-[2-(azepan-1-yl)acetamido]-N-(2-fluorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C24H30FN3O2S/c1-16-10-11-17-20(14-16)31-24(27-21(29)15-28-12-6-2-3-7-13-28)22(17)23(30)26-19-9-5-4-8-18(19)25/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,26,30)(H,27,29)

Composition: C (64.99%), H (6.82%), F (4.28%), N (9.47%), O (7.21%), S (7.23%)

Molar Mass: 443.58

Atom Count: 61

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	443.204276555
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GQTWJQYRXHQENH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	125.08
Topological Polar Surface Area	61.44
Polarizability	46.33
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H30FN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00