N-[4-({[(2E)-3-phenylprop-2-enamido]methanethioyl}amino)phenyl]furan-2-carboxamide

N-[4-({[(2E)-3-phenylprop-2-enamido]methanethioyl}amino)phenyl]furan-2-carboxamide

Formula: C21H17N3O3S

SMILES: O=C(NC(=S)NC1=CC=C(NC(=O)C2=CC=CO2)C=C1)C=CC1=CC=CC=C1

IUPAC: N-[4-({[(2E)-3-phenylprop-2-enamido]methanethioyl}amino)phenyl]furan-2-carboxamide

InChI: InChI=1S/C21H17N3O3S/c25-19(13-8-15-5-2-1-3-6-15)24-21(28)23-17-11-9-16(10-12-17)22-20(26)18-7-4-14-27-18/h1-14H,(H,22,26)(H2,23,24,25,28)/b13-8+

Composition: C (64.44%), H (4.38%), N (10.73%), O (12.26%), S (8.19%)

Molar Mass: 391.45

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	391.099062593
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	PIGISPRXQVRKFN-MDWZMJQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.5
Topological Polar Surface Area	83.37
Polarizability	42.3
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H17N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00