N-{2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}furan-2-carboxamide

N-{2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}furan-2-carboxamide

Formula: C17H15F6N3O3S

SMILES: NC(=O)C1=C(NC(NC(=O)C2=CC=CO2)(C(F)(F)F)C(F)(F)F)SC2=C1CCCC2

IUPAC: N-{2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}furan-2-carboxamide

InChI: InChI=1S/C17H15F6N3O3S/c18-16(19,20)15(17(21,22)23,25-13(28)9-5-3-7-29-9)26-14-11(12(24)27)8-4-1-2-6-10(8)30-14/h3,5,7,26H,1-2,4,6H2,(H2,24,27)(H,25,28)

Composition: C (44.84%), H (3.32%), F (25.03%), N (9.23%), O (10.54%), S (7.04%)

Molar Mass: 455.38

Atom Count: 45

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	455.073831507
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	NWBWEUIQXAOPAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.22
Topological Polar Surface Area	97.36
Polarizability	33.63
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15F6N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00