6-tert-butyl-N-(4-chlorophenyl)-2-[2-(4-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-tert-butyl-N-(4-chlorophenyl)-2-[2-(4-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C27H36ClN3O2S

SMILES: CC1CCN(CC(=O)NC2=C(C(=O)NC3=CC=C(Cl)C=C3)C3=C(CC(CC3)C(C)(C)C)S2)CC1

IUPAC: 6-tert-butyl-N-(4-chlorophenyl)-2-[2-(4-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C27H36ClN3O2S/c1-17-11-13-31(14-12-17)16-23(32)30-26-24(25(33)29-20-8-6-19(28)7-9-20)21-10-5-18(27(2,3)4)15-22(21)34-26/h6-9,17-18H,5,10-16H2,1-4H3,(H,29,33)(H,30,32)

Composition: C (64.59%), H (7.23%), Cl (7.06%), N (8.37%), O (6.37%), S (6.39%)

Molar Mass: 502.11

Atom Count: 70

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	501.2216763
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OOLSRYXSXCHRNO-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	143.24
Topological Polar Surface Area	61.44
Polarizability	54.04
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H36ClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00