4-cyano-N,N-diethyl-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxamide

4-cyano-N,N-diethyl-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxamide

Formula: C19H20N4O4S

SMILES: CCN(CC)C(=O)C1=C(C)C(C#N)=C(NC(=O)C2=CC=C(C(C)=C2)[N+]([O-])=O)S1

IUPAC: 4-cyano-N,N-diethyl-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxamide

InChI: InChI=1S/C19H20N4O4S/c1-5-22(6-2)19(25)16-12(4)14(10-20)18(28-16)21-17(24)13-7-8-15(23(26)27)11(3)9-13/h7-9H,5-6H2,1-4H3,(H,21,24)

Composition: C (56.99%), H (5.03%), N (13.99%), O (15.98%), S (8.01%)

Molar Mass: 400.45

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	400.120526314
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	AEZFJKGSKYXXRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.13
Topological Polar Surface Area	116.34
Polarizability	39.14
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00