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

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

Formula: C29H41N3O4S

SMILES: COC1=CC=C(NC(=O)C2=C(NC(=O)CN3CCCC(C)C3)SC3=C2CCC(C3)C(C)(C)C)C(OC)=C1

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

InChI: InChI=1/C29H41N3O4S/c1-18-8-7-13-32(16-18)17-25(33)31-28-26(21-11-9-19(29(2,3)4)14-24(21)37-28)27(34)30-22-12-10-20(35-5)15-23(22)36-6/h10,12,15,18-19H,7-9,11,13-14,16-17H2,1-6H3,(H,30,34)(H,31,33)

Composition: C (66.00%), H (7.83%), N (7.96%), O (12.13%), S (6.08%)

Molar Mass: 527.72

Atom Count: 78

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	527.281777986
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FEIXBLRUGKQWAP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	151.28
Topological Polar Surface Area	79.9
Polarizability	57.22
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H41N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00