N-(4-{3-[4-(3,4-dimethylbenzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)acetamide

N-(4-{3-[4-(3,4-dimethylbenzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)acetamide

Formula: C23H31N3O5S

SMILES: CC(=O)NC1=CC=C(OCC(O)CN2CCN(CC2)S(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1

IUPAC: N-(4-{3-[4-(3,4-dimethylbenzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)acetamide

InChI: InChI=1/C23H31N3O5S/c1-17-4-9-23(14-18(17)2)32(29,30)26-12-10-25(11-13-26)15-21(28)16-31-22-7-5-20(6-8-22)24-19(3)27/h4-9,14,21,28H,10-13,15-16H2,1-3H3,(H,24,27)

Composition: C (59.85%), H (6.77%), N (9.10%), O (17.33%), S (6.95%)

Molar Mass: 461.58

Atom Count: 63

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	461.198442284
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PBRFNPKRVNZXAJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.52
Topological Polar Surface Area	99.18
Polarizability	48.61
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H31N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00