ethyl 2-cyclobutaneamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-cyclobutaneamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C16H21NO3S

SMILES: CCOC(=O)C1=C(NC(=O)C2CCC2)SC2=C1CCCC2

IUPAC: ethyl 2-cyclobutaneamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C16H21NO3S/c1-2-20-16(19)13-11-8-3-4-9-12(11)21-15(13)17-14(18)10-6-5-7-10/h10H,2-9H2,1H3,(H,17,18)

Composition: C (62.51%), H (6.89%), N (4.56%), O (15.61%), S (10.43%)

Molar Mass: 307.41

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	307.124214714
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JYMJLGXCUUYBTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.38
Topological Polar Surface Area	55.4
Polarizability	31.46
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H21NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00