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

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

Formula: C31H39N3O2S

SMILES: CC1=CC=C(NC(=O)C2=C(NC(=O)CNCCC3=CC=CC=C3)SC3=C2CCC(C3)C(C)(C)C)C(C)=C1

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

InChI: InChI=1/C31H39N3O2S/c1-20-11-14-25(21(2)17-20)33-29(36)28-24-13-12-23(31(3,4)5)18-26(24)37-30(28)34-27(35)19-32-16-15-22-9-7-6-8-10-22/h6-11,14,17,23,32H,12-13,15-16,18-19H2,1-5H3,(H,33,36)(H,34,35)

Composition: C (71.92%), H (7.59%), N (8.12%), O (6.18%), S (6.19%)

Molar Mass: 517.73

Atom Count: 76

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	517.276298682
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	CYMYDNYYVCRHQS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	155.9
Topological Polar Surface Area	70.23
Polarizability	58.59
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H39N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00