N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-4-(3-methylbutoxy)benzamide

N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-4-(3-methylbutoxy)benzamide

Formula: C20H22N2O2S

SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)NC1=C(C#N)C2=C(CCC2)S1

IUPAC: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-4-(3-methylbutoxy)benzamide

InChI: InChI=1S/C20H22N2O2S/c1-13(2)10-11-24-15-8-6-14(7-9-15)19(23)22-20-17(12-21)16-4-3-5-18(16)25-20/h6-9,13H,3-5,10-11H2,1-2H3,(H,22,23)

Composition: C (67.77%), H (6.26%), N (7.90%), O (9.03%), S (9.04%)

Molar Mass: 354.47

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	354.14019913
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UABCALXSSIGISF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.28
Topological Polar Surface Area	62.12
Polarizability	37.95
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00