N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]propyl}-2-methylquinoline-4-carboxamide

N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]propyl}-2-methylquinoline-4-carboxamide

Formula: C21H20N4O3S

SMILES: CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCNC1=NS(=O)(=O)C2=C1C=CC=C2

IUPAC: N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]propyl}-2-methylquinoline-4-carboxamide

InChI: InChI=1S/C21H20N4O3S/c1-14-13-17(15-7-2-4-9-18(15)24-14)21(26)23-12-6-11-22-20-16-8-3-5-10-19(16)29(27,28)25-20/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,26)

Composition: C (61.75%), H (4.94%), N (13.72%), O (11.75%), S (7.85%)

Molar Mass: 408.48

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	408.125611694
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LTEJABXZWBZNSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.59
Topological Polar Surface Area	100.52
Polarizability	43.75
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00