3-chloro-N-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]-1-benzothiophene-2-carboxamide

Formula: C20H18ClN3O4S

SMILES: CC1=CC(=C(C=C1NC(=O)C1=C(Cl)C2=CC=CC=C2S1)N1CCOCC1)[N+]([O-])=O

IUPAC: 3-chloro-N-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C20H18ClN3O4S/c1-12-10-16(24(26)27)15(23-6-8-28-9-7-23)11-14(12)22-20(25)19-18(21)13-4-2-3-5-17(13)29-19/h2-5,10-11H,6-9H2,1H3,(H,22,25)

Composition: C (55.62%), H (4.20%), Cl (8.21%), N (9.73%), O (14.82%), S (7.42%)

Molar Mass: 431.89

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	431.0706549
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DHNKRZBMJZOMEY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	114.39
Topological Polar Surface Area	84.71
Polarizability	43.17
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18ClN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00