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

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

Formula: C26H35N3O3S

SMILES: COC1=CC=C(NC(=O)C2=C(NC(=O)CN3CCCC3)SC3=C2CCC(C3)C(C)(C)C)C=C1

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

InChI: InChI=1/C26H35N3O3S/c1-26(2,3)17-7-12-20-21(15-17)33-25(28-22(30)16-29-13-5-6-14-29)23(20)24(31)27-18-8-10-19(32-4)11-9-18/h8-11,17H,5-7,12-16H2,1-4H3,(H,27,31)(H,28,30)

Composition: C (66.49%), H (7.51%), N (8.95%), O (10.22%), S (6.83%)

Molar Mass: 469.64

Atom Count: 68

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	469.239913173
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JYFIQDZLEXXYOU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	135.75
Topological Polar Surface Area	70.67
Polarizability	51.02
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H35N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00