N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide

Formula: C22H28N2O4S

SMILES: COC1=CC=C(CCNC(=O)C2CCN(CC2)S(=O)(=O)C2=CC=C(C)C=C2)C=C1

IUPAC: N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide

InChI: InChI=1S/C22H28N2O4S/c1-17-3-9-21(10-4-17)29(26,27)24-15-12-19(13-16-24)22(25)23-14-11-18-5-7-20(28-2)8-6-18/h3-10,19H,11-16H2,1-2H3,(H,23,25)

Composition: C (63.44%), H (6.78%), N (6.73%), O (15.36%), S (7.70%)

Molar Mass: 416.54

Atom Count: 57

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	416.176978564
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PSSXUSHZJAWXQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.98
Topological Polar Surface Area	75.71
Polarizability	44.69
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H28N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00