N-(3,5-dimethylphenyl)-2-{[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(3,5-dimethylphenyl)-2-{[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C20H22N4O2S

SMILES: CCOC1=CC=CC=C1C1=NC(SCC(=O)NC2=CC(C)=CC(C)=C2)=NN1

IUPAC: N-(3,5-dimethylphenyl)-2-{[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C20H22N4O2S/c1-4-26-17-8-6-5-7-16(17)19-22-20(24-23-19)27-12-18(25)21-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,23,24)

Composition: C (62.81%), H (5.80%), N (14.65%), O (8.37%), S (8.38%)

Molar Mass: 382.48

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	382.146347138
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SIUJPJCURMRFKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.53
Topological Polar Surface Area	79.9
Polarizability	41.97
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00