methyl 2-[2-(N-benzyl-4-methylbenzenesulfonamido)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[2-(N-benzyl-4-methylbenzenesulfonamido)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C31H30N2O5S2

SMILES: COC(=O)C1=C(NC(=O)C2=CC=CC=C2N(CC2=CC=CC=C2)S(=O)(=O)C2=CC=C(C)C=C2)SC2=C1CCCC2

IUPAC: methyl 2-[2-(N-benzyl-4-methylbenzenesulfonamido)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C31H30N2O5S2/c1-21-16-18-23(19-17-21)40(36,37)33(20-22-10-4-3-5-11-22)26-14-8-6-12-24(26)29(34)32-30-28(31(35)38-2)25-13-7-9-15-27(25)39-30/h3-6,8,10-12,14,16-19H,7,9,13,15,20H2,1-2H3,(H,32,34)

Composition: C (64.79%), H (5.26%), N (4.87%), O (13.92%), S (11.16%)

Molar Mass: 574.71

Atom Count: 70

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	574.159614422
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VDGDSKLTUAJPGG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	158.69
Topological Polar Surface Area	92.78
Polarizability	60.58
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H30N2O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00