ethyl 1-{4-[(N-phenylmethanesulfonamido)methyl]benzoyl}piperidine-4-carboxylate

ethyl 1-{4-[(N-phenylmethanesulfonamido)methyl]benzoyl}piperidine-4-carboxylate

Formula: C23H28N2O5S

SMILES: CCOC(=O)C1CCN(CC1)C(=O)C1=CC=C(CN(C2=CC=CC=C2)S(C)(=O)=O)C=C1

IUPAC: ethyl 1-{4-[(N-phenylmethanesulfonamido)methyl]benzoyl}piperidine-4-carboxylate

InChI: InChI=1S/C23H28N2O5S/c1-3-30-23(27)20-13-15-24(16-14-20)22(26)19-11-9-18(10-12-19)17-25(31(2,28)29)21-7-5-4-6-8-21/h4-12,20H,3,13-17H2,1-2H3

Composition: C (62.14%), H (6.35%), N (6.30%), O (17.99%), S (7.21%)

Molar Mass: 444.55

Atom Count: 59

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	444.171893184
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WICBGYVPMICVSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.02
Topological Polar Surface Area	83.99
Polarizability	46.53
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00