ethyl 2-(adamantane-1-amido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

ethyl 2-(adamantane-1-amido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Formula: C26H29FN2O4S

SMILES: CCOC(=O)C1=C(NC(=O)C23CC4CC(CC(C4)C2)C3)SC(C(=O)NC2=CC=CC=C2F)=C1C

IUPAC: ethyl 2-(adamantane-1-amido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C26H29FN2O4S/c1-3-33-24(31)20-14(2)21(22(30)28-19-7-5-4-6-18(19)27)34-23(20)29-25(32)26-11-15-8-16(12-26)10-17(9-15)13-26/h4-7,15-17H,3,8-13H2,1-2H3,(H,28,30)(H,29,32)

Composition: C (64.44%), H (6.03%), F (3.92%), N (5.78%), O (13.21%), S (6.62%)

Molar Mass: 484.59

Atom Count: 63

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	484.183206759
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LUKRJUYGWZIVFQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.28
Topological Polar Surface Area	84.5
Polarizability	48.66
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H29FN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00