2-(2-chloro-5-iodobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-(2-chloro-5-iodobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C16H14ClIN2O2S

SMILES: NC(=O)C1=C(NC(=O)C2=CC(I)=CC=C2Cl)SC2=C1CCCC2

IUPAC: 2-(2-chloro-5-iodobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1S/C16H14ClIN2O2S/c17-11-6-5-8(18)7-10(11)15(22)20-16-13(14(19)21)9-3-1-2-4-12(9)23-16/h5-7H,1-4H2,(H2,19,21)(H,20,22)

Composition: C (41.71%), H (3.06%), Cl (7.69%), I (27.55%), N (6.08%), O (6.95%), S (6.96%)

Molar Mass: 460.71

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	459.95092
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XABQFQQIOMPBEO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.52
Topological Polar Surface Area	72.19
Polarizability	38.12
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14ClIN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00