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

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

Formula: C25H26BrN3O2S

SMILES: BrC1=CC=C(NC(=O)C2=C(NC(=O)CNCCC3=CC=CC=C3)SC3=C2CCCC3)C=C1

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

InChI: InChI=1S/C25H26BrN3O2S/c26-18-10-12-19(13-11-18)28-24(31)23-20-8-4-5-9-21(20)32-25(23)29-22(30)16-27-15-14-17-6-2-1-3-7-17/h1-3,6-7,10-13,27H,4-5,8-9,14-16H2,(H,28,31)(H,29,30)

Composition: C (58.59%), H (5.11%), Br (15.59%), N (8.20%), O (6.24%), S (6.26%)

Molar Mass: 512.47

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	511.092911
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	IAWONNRNRRMXDV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.27
Topological Polar Surface Area	70.23
Polarizability	50.42
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H26BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00