ethyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

ethyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

Formula: C21H22ClN3O6S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC(=CC=C2Cl)[N+]([O-])=O)SC(C(=O)N2CCCCC2)=C1C

IUPAC: ethyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

InChI: InChI=1S/C21H22ClN3O6S/c1-3-31-21(28)16-12(2)17(20(27)24-9-5-4-6-10-24)32-19(16)23-18(26)14-11-13(25(29)30)7-8-15(14)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,23,26)

Composition: C (52.56%), H (4.62%), Cl (7.39%), N (8.76%), O (20.00%), S (6.68%)

Molar Mass: 479.93

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	479.0917843
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LVUVPFZZEGZOMT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.6
Topological Polar Surface Area	118.85
Polarizability	44.94
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22ClN3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00