methyl 2-{2-[N-(3,4-dimethoxyphenyl)methanesulfonamido]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-{2-[N-(3,4-dimethoxyphenyl)methanesulfonamido]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C21H26N2O7S2

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

IUPAC: methyl 2-{2-[N-(3,4-dimethoxyphenyl)methanesulfonamido]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C21H26N2O7S2/c1-28-15-10-9-13(11-16(15)29-2)23(32(4,26)27)12-18(24)22-20-19(21(25)30-3)14-7-5-6-8-17(14)31-20/h9-11H,5-8,12H2,1-4H3,(H,22,24)

Composition: C (52.27%), H (5.43%), N (5.81%), O (23.21%), S (13.29%)

Molar Mass: 482.57

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	482.118143533
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	AITHJWRYJNQCIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.64
Topological Polar Surface Area	111.24
Polarizability	46.72
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26N2O7S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00