ethyl 2-(3-chlorobenzamido)-4-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate

ethyl 2-(3-chlorobenzamido)-4-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate

Formula: C23H18ClF3N2O4S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=CC(Cl)=C2)SC(C(=O)NC2=CC=CC(=C2)C(F)(F)F)=C1C

IUPAC: ethyl 2-(3-chlorobenzamido)-4-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate

InChI: InChI=1S/C23H18ClF3N2O4S/c1-3-33-22(32)17-12(2)18(20(31)28-16-9-5-7-14(11-16)23(25,26)27)34-21(17)29-19(30)13-6-4-8-15(24)10-13/h4-11H,3H2,1-2H3,(H,28,31)(H,29,30)

Composition: C (54.07%), H (3.55%), Cl (6.94%), F (11.16%), N (5.48%), O (12.53%), S (6.28%)

Molar Mass: 510.91

Atom Count: 52

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	510.0627904
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IPIFYLSJXVPLAW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	125.77
Topological Polar Surface Area	84.5
Polarizability	45.39
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18ClF3N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00