N-[4-(4-ethoxy-3-nitrobenzamido)phenyl]thiophene-2-carboxamide

N-[4-(4-ethoxy-3-nitrobenzamido)phenyl]thiophene-2-carboxamide

Formula: C20H17N3O5S

SMILES: CCOC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1=CC=C(NC(=O)C2=CC=CS2)C=C1

IUPAC: N-[4-(4-ethoxy-3-nitrobenzamido)phenyl]thiophene-2-carboxamide

InChI: InChI=1S/C20H17N3O5S/c1-2-28-17-10-5-13(12-16(17)23(26)27)19(24)21-14-6-8-15(9-7-14)22-20(25)18-4-3-11-29-18/h3-12H,2H2,1H3,(H,21,24)(H,22,25)

Composition: C (58.39%), H (4.16%), N (10.21%), O (19.44%), S (7.79%)

Molar Mass: 411.43

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	411.088891833
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	VCRFPPOEODAFOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.55
Topological Polar Surface Area	110.57
Polarizability	40.51
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00