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

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

Formula: C19H21NO5S

SMILES: COC(=O)C1=C(NC(=O)C2=CC=C(OC)C(OC)=C2)SC2=C1CCCC2

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

InChI: InChI=1S/C19H21NO5S/c1-23-13-9-8-11(10-14(13)24-2)17(21)20-18-16(19(22)25-3)12-6-4-5-7-15(12)26-18/h8-10H,4-7H2,1-3H3,(H,20,21)

Composition: C (60.78%), H (5.64%), N (3.73%), O (21.31%), S (8.54%)

Molar Mass: 375.44

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	375.114043954
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IUWBGMKVJJONJN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.23
Topological Polar Surface Area	73.86
Polarizability	37.61
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00