5-benzyl-4-methyl-2-(2-nitrobenzamido)thiophene-3-carboxamide

5-benzyl-4-methyl-2-(2-nitrobenzamido)thiophene-3-carboxamide

Formula: C20H17N3O4S

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

IUPAC: 5-benzyl-4-methyl-2-(2-nitrobenzamido)thiophene-3-carboxamide

InChI: InChI=1S/C20H17N3O4S/c1-12-16(11-13-7-3-2-4-8-13)28-20(17(12)18(21)24)22-19(25)14-9-5-6-10-15(14)23(26)27/h2-10H,11H2,1H3,(H2,21,24)(H,22,25)

Composition: C (60.75%), H (4.33%), N (10.63%), O (16.18%), S (8.11%)

Molar Mass: 395.43

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	395.093977213
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SQTUEUUPTKVKTM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.97
Topological Polar Surface Area	115.33
Polarizability	39.47
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00