N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(pyrrolidine-1-sulfonyl)benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(pyrrolidine-1-sulfonyl)benzamide

Formula: C22H28N2O5S

SMILES: COC1=CC=C(CCNC(=O)C2=CC=C(C)C(=C2)S(=O)(=O)N2CCCC2)C=C1OC

IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(pyrrolidine-1-sulfonyl)benzamide

InChI: InChI=1S/C22H28N2O5S/c1-16-6-8-18(15-21(16)30(26,27)24-12-4-5-13-24)22(25)23-11-10-17-7-9-19(28-2)20(14-17)29-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,23,25)

Composition: C (61.09%), H (6.53%), N (6.48%), O (18.49%), S (7.41%)

Molar Mass: 432.54

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	432.171893184
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BGPLVKVWVPFOBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.86
Topological Polar Surface Area	84.94
Polarizability	45.17
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H28N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00