propyl 2-(2,2-dimethylpropanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

propyl 2-(2,2-dimethylpropanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C18H27NO3S

SMILES: CCCOC(=O)C1=C(NC(=O)C(C)(C)C)SC2=C1CCC(C)C2

IUPAC: propyl 2-(2,2-dimethylpropanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C18H27NO3S/c1-6-9-22-16(20)14-12-8-7-11(2)10-13(12)23-15(14)19-17(21)18(3,4)5/h11H,6-10H2,1-5H3,(H,19,21)

Composition: C (64.06%), H (8.06%), N (4.15%), O (14.22%), S (9.50%)

Molar Mass: 337.48

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	337.171164907
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AXYILPIOMQQSJH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	94.16
Topological Polar Surface Area	55.4
Polarizability	35.85
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H27NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00