5-benzyl-4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]thiophene-3-carboxamide

5-benzyl-4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]thiophene-3-carboxamide

Formula: C22H19N3O4S

SMILES: CC1=C(CC2=CC=CC=C2)SC(NC(=O)C=CC2=CC=CC(=C2)[N+]([O-])=O)=C1C(N)=O

IUPAC: 5-benzyl-4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]thiophene-3-carboxamide

InChI: InChI=1S/C22H19N3O4S/c1-14-18(13-15-6-3-2-4-7-15)30-22(20(14)21(23)27)24-19(26)11-10-16-8-5-9-17(12-16)25(28)29/h2-12H,13H2,1H3,(H2,23,27)(H,24,26)/b11-10+

Composition: C (62.70%), H (4.54%), N (9.97%), O (15.18%), S (7.61%)

Molar Mass: 421.47

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	421.109627278
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DEKXWIOLYDXAJE-ZHACJKMWSA-N
Lipinski's Rule of Five
Molar Refractivity	117.72
Topological Polar Surface Area	115.33
Polarizability	42.9
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00