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

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

Formula: C28H39N3O4S

SMILES: COC1=CC=C(OC)C(NC(=O)C2=C(NC(=O)CN3CCCCC3)SC3=C2CCC(C3)C(C)(C)C)=C1

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

InChI: InChI=1/C28H39N3O4S/c1-28(2,3)18-9-11-20-23(15-18)36-27(30-24(32)17-31-13-7-6-8-14-31)25(20)26(33)29-21-16-19(34-4)10-12-22(21)35-5/h10,12,16,18H,6-9,11,13-15,17H2,1-5H3,(H,29,33)(H,30,32)

Composition: C (65.47%), H (7.65%), N (8.18%), O (12.46%), S (6.24%)

Molar Mass: 513.7

Atom Count: 75

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	513.266127922
Formal Charge	0
FSP3	0.57
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NPRSIZPEGUKGEC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	146.81
Topological Polar Surface Area	79.9
Polarizability	55.38
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H39N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00