2-{[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

2-{[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

Formula: C32H31N3OS

SMILES: CC1=CC=C(NC(=O)CSC2=C(C#N)C(=CC(=N2)C2=CC=CC=C2)C2=CC=C(C=C2)C(C)(C)C)C=C1C

IUPAC: 2-{[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

InChI: InChI=1S/C32H31N3OS/c1-21-11-16-26(17-22(21)2)34-30(36)20-37-31-28(19-33)27(18-29(35-31)24-9-7-6-8-10-24)23-12-14-25(15-13-23)32(3,4)5/h6-18H,20H2,1-5H3,(H,34,36)

Composition: C (76.01%), H (6.18%), N (8.31%), O (3.16%), S (6.34%)

Molar Mass: 505.68

Atom Count: 68

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	505.218783804
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BPPNNRLMYLTWCM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	155.85
Topological Polar Surface Area	65.78
Polarizability	61.68
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C32H31N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00