N-(2,4-dimethylphenyl)-4-{[(5-propanamido-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzamide

N-(2,4-dimethylphenyl)-4-{[(5-propanamido-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzamide

Formula: C21H22N4O2S2

SMILES: CCC(=O)NC1=NN=C(SCC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C=C2C)S1

IUPAC: N-(2,4-dimethylphenyl)-4-{[(5-propanamido-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzamide

InChI: InChI=1S/C21H22N4O2S2/c1-4-18(26)23-20-24-25-21(29-20)28-12-15-6-8-16(9-7-15)19(27)22-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,22,27)(H,23,24,26)

Composition: C (59.13%), H (5.20%), N (13.14%), O (7.50%), S (15.03%)

Molar Mass: 426.55

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	426.118418312
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MDVDFCULDPXJJV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	122.86
Topological Polar Surface Area	83.98
Polarizability	44.64
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00