ethyl 2-(5-chloropentanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-(5-chloropentanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C16H22ClNO3S

SMILES: CCOC(=O)C1=C(NC(=O)CCCCCl)SC2=C1CCCC2

IUPAC: ethyl 2-(5-chloropentanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C16H22ClNO3S/c1-2-21-16(20)14-11-7-3-4-8-12(11)22-15(14)18-13(19)9-5-6-10-17/h2-10H2,1H3,(H,18,19)

Composition: C (55.89%), H (6.45%), Cl (10.31%), N (4.07%), O (13.96%), S (9.32%)

Molar Mass: 343.87

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	343.1008924
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	URPMKSZCMCLNCD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.19
Topological Polar Surface Area	55.4
Polarizability	34.05
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H22ClNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00