N-(3,4-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

N-(3,4-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

Formula: C21H27N3O3S

SMILES: CC1=CC=C(C=C1C)N(CC(=O)N1CCN(CC1)C1=CC=CC=C1)S(C)(=O)=O

IUPAC: N-(3,4-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

InChI: InChI=1S/C21H27N3O3S/c1-17-9-10-20(15-18(17)2)24(28(3,26)27)16-21(25)23-13-11-22(12-14-23)19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3

Composition: C (62.82%), H (6.78%), N (10.47%), O (11.95%), S (7.98%)

Molar Mass: 401.53

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.177312915
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JNPGMPRPEVMBFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.97
Topological Polar Surface Area	60.93
Polarizability	43.27
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00