2-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamido)benzamide

2-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamido)benzamide

Formula: C18H18N4O3S

SMILES: COCC1=CC(C)=NC(SCC(=O)NC2=CC=CC=C2C(N)=O)=C1C#N

IUPAC: 2-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamido)benzamide

InChI: InChI=1S/C18H18N4O3S/c1-11-7-12(9-25-2)14(8-19)18(21-11)26-10-16(23)22-15-6-4-3-5-13(15)17(20)24/h3-7H,9-10H2,1-2H3,(H2,20,24)(H,22,23)

Composition: C (58.36%), H (4.90%), N (15.13%), O (12.96%), S (8.65%)

Molar Mass: 370.43

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	370.10996163
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	TUGZRJHFXQAHTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.44
Topological Polar Surface Area	118.1
Polarizability	37.8
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00