methyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C15H19NO5S

SMILES: COC(=O)CCC(=O)NC1=C(C(=O)OC)C2=C(CCCC2)S1

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

InChI: InChI=1S/C15H19NO5S/c1-20-12(18)8-7-11(17)16-14-13(15(19)21-2)9-5-3-4-6-10(9)22-14/h3-8H2,1-2H3,(H,16,17)

Composition: C (55.37%), H (5.89%), N (4.30%), O (24.59%), S (9.85%)

Molar Mass: 325.38

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	325.09839389
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HCCPEWLYJKJJEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.29
Topological Polar Surface Area	81.7
Polarizability	31.21
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H19NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00