N-[4-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]thiophene-2-carboxamide

N-[4-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]thiophene-2-carboxamide

Formula: C20H16N4O5S2

SMILES: COC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC(=S)NC1=CC=C(NC(=O)C2=CC=CS2)C=C1

IUPAC: N-[4-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]thiophene-2-carboxamide

InChI: InChI=1S/C20H16N4O5S2/c1-29-16-9-4-12(11-15(16)24(27)28)18(25)23-20(30)22-14-7-5-13(6-8-14)21-19(26)17-3-2-10-31-17/h2-11H,1H3,(H,21,26)(H2,22,23,25,30)

Composition: C (52.62%), H (3.53%), N (12.27%), O (17.52%), S (14.05%)

Molar Mass: 456.49

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	456.056211979
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	CLIDSODGFONKCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.03
Topological Polar Surface Area	122.6
Polarizability	44.9
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16N4O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00