2-amino-N-(3-chlorophenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

2-amino-N-(3-chlorophenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C16H17ClN2OS

SMILES: NC1=C(C(=O)NC2=CC(Cl)=CC=C2)C2=C(CCCCC2)S1

IUPAC: 2-amino-N-(3-chlorophenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C16H17ClN2OS/c17-10-5-4-6-11(9-10)19-16(20)14-12-7-2-1-3-8-13(12)21-15(14)18/h4-6,9H,1-3,7-8,18H2,(H,19,20)

Composition: C (59.90%), H (5.34%), Cl (11.05%), N (8.73%), O (4.99%), S (9.99%)

Molar Mass: 320.84

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.075012
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PLLWUOOQVHWNSR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.38
Topological Polar Surface Area	55.12
Polarizability	32.94
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17ClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00