N-(4-acetylphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-(4-acetylphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Formula: C15H18N4O2S

SMILES: CCC1=NN=C(N1)SC(C)C(=O)NC1=CC=C(C=C1)C(C)=O

IUPAC: N-(4-acetylphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide

InChI: InChI=1/C15H18N4O2S/c1-4-13-17-15(19-18-13)22-10(3)14(21)16-12-7-5-11(6-8-12)9(2)20/h5-8,10H,4H2,1-3H3,(H,16,21)(H,17,18,19)

Composition: C (56.59%), H (5.70%), N (17.60%), O (10.05%), S (10.07%)

Molar Mass: 318.4

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	318.11504701
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UPAQASQPHBSOTG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.93
Topological Polar Surface Area	87.74
Polarizability	33.01
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H18N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00