6-tert-butyl-N-(4-chlorophenyl)-2-{2-[(furan-2-ylmethyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-tert-butyl-N-(4-chlorophenyl)-2-{2-[(furan-2-ylmethyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C26H30ClN3O3S

SMILES: CC(C)(C)C1CCC2=C(C1)SC(NC(=O)CNCC1=CC=CO1)=C2C(=O)NC1=CC=C(Cl)C=C1

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

InChI: InChI=1/C26H30ClN3O3S/c1-26(2,3)16-6-11-20-21(13-16)34-25(30-22(31)15-28-14-19-5-4-12-33-19)23(20)24(32)29-18-9-7-17(27)8-10-18/h4-5,7-10,12,16,28H,6,11,13-15H2,1-3H3,(H,29,32)(H,30,31)

Composition: C (62.45%), H (6.05%), Cl (7.09%), N (8.40%), O (9.60%), S (6.41%)

Molar Mass: 500.05

Atom Count: 64

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	499.1696407
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	KMJNCRSKHQHTGE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	138.26
Topological Polar Surface Area	83.37
Polarizability	52.04
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H30ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00