5-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

5-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

Formula: C21H17ClN2O2S

SMILES: CC1=C(Cl)C=CC=C1C1=CC=C(O1)C(=O)NC1=C(C#N)C2=C(CCCC2)S1

IUPAC: 5-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

InChI: InChI=1S/C21H17ClN2O2S/c1-12-13(6-4-7-16(12)22)17-9-10-18(26-17)20(25)24-21-15(11-23)14-5-2-3-8-19(14)27-21/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,24,25)

Composition: C (63.55%), H (4.32%), Cl (8.93%), N (7.06%), O (8.06%), S (8.08%)

Molar Mass: 396.89

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	396.0699267
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HHLMDICRFZOOFZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	108.25
Topological Polar Surface Area	66.03
Polarizability	41.37
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H17ClN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00