ethyl 2-(3-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

ethyl 2-(3-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

Formula: C25H23ClN2O6S

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

IUPAC: ethyl 2-(3-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C25H23ClN2O6S/c1-4-33-24(31)15-9-11-18(12-10-15)27-22(30)20-14(3)19(25(32)34-5-2)23(35-20)28-21(29)16-7-6-8-17(26)13-16/h6-13H,4-5H2,1-3H3,(H,27,30)(H,28,29)

Composition: C (58.31%), H (4.50%), Cl (6.88%), N (5.44%), O (18.64%), S (6.23%)

Molar Mass: 514.98

Atom Count: 58

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	514.0965353
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SMAIJEYYQCGSQM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.57
Topological Polar Surface Area	110.8
Polarizability	50.5
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23ClN2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00