methyl 2-[2-(4-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[2-(4-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C22H27NO4S

SMILES: COC(=O)C1=C(NC(=O)COC2=CC=C(C=C2)C(C)(C)C)SC2=C1CCCC2

IUPAC: methyl 2-[2-(4-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C22H27NO4S/c1-22(2,3)14-9-11-15(12-10-14)27-13-18(24)23-20-19(21(25)26-4)16-7-5-6-8-17(16)28-20/h9-12H,5-8,13H2,1-4H3,(H,23,24)

Composition: C (65.81%), H (6.78%), N (3.49%), O (15.94%), S (7.98%)

Molar Mass: 401.52

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.166079527
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MZHRKNHOMYRECM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.26
Topological Polar Surface Area	64.63
Polarizability	42.35
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H27NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00