ethyl 2-(2-phenylcyclopropaneamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-(2-phenylcyclopropaneamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

Formula: C20H21NO3S

SMILES: CCOC(=O)C1=C(NC(=O)C2CC2C2=CC=CC=C2)SC2=C1CCC2

IUPAC: ethyl 2-(2-phenylcyclopropaneamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

InChI: InChI=1/C20H21NO3S/c1-2-24-20(23)17-13-9-6-10-16(13)25-19(17)21-18(22)15-11-14(15)12-7-4-3-5-8-12/h3-5,7-8,14-15H,2,6,9-11H2,1H3,(H,21,22)

Composition: C (67.58%), H (5.96%), N (3.94%), O (13.50%), S (9.02%)

Molar Mass: 355.45

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	355.124214714
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MJNKUZGRAWRLHS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	98.82
Topological Polar Surface Area	55.4
Polarizability	37.34
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00