(2E)-2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(2E)-2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

Formula: C18H18N2O2S

SMILES: COC1=C(C)C=C(C=C(/C#N)C(=O)NCC2=CC=CS2)C(C)=C1

IUPAC: (2E)-2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-[(thiophen-2-yl)methyl]prop-2-enamide

InChI: InChI=1S/C18H18N2O2S/c1-12-8-17(22-3)13(2)7-14(12)9-15(10-19)18(21)20-11-16-5-4-6-23-16/h4-9H,11H2,1-3H3,(H,20,21)/b15-9+

Composition: C (66.23%), H (5.56%), N (8.58%), O (9.80%), S (9.82%)

Molar Mass: 326.41

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	326.108899002
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VTDNEKMIINXCBC-OQLLNIDSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.88
Topological Polar Surface Area	62.12
Polarizability	34.63
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00