ethyl 2-[2-(N-phenyl-4-ethoxybenzenesulfonamido)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[2-(N-phenyl-4-ethoxybenzenesulfonamido)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C27H30N2O6S2

SMILES: CCOC(=O)C1=C(NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C2=CC=C(OCC)C=C2)SC2=C1CCCC2

IUPAC: ethyl 2-[2-(N-phenyl-4-ethoxybenzenesulfonamido)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C27H30N2O6S2/c1-3-34-20-14-16-21(17-15-20)37(32,33)29(19-10-6-5-7-11-19)18-24(30)28-26-25(27(31)35-4-2)22-12-8-9-13-23(22)36-26/h5-7,10-11,14-17H,3-4,8-9,12-13,18H2,1-2H3,(H,28,30)

Composition: C (59.76%), H (5.57%), N (5.16%), O (17.69%), S (11.82%)

Molar Mass: 542.67

Atom Count: 67

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	542.154529042
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MGJZBPPLQBSIFK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.82
Topological Polar Surface Area	102.01
Polarizability	55.49
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H30N2O6S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00