N-(4-{4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ylsulfonyl}phenyl)acetamide

N-(4-{4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ylsulfonyl}phenyl)acetamide

Formula: C21H27N3O5S

SMILES: COC1=CC=C(CN2CCN(CC2)S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1OC

IUPAC: N-[4-({4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

InChI: InChI=1S/C21H27N3O5S/c1-16(25)22-18-5-7-19(8-6-18)30(26,27)24-12-10-23(11-13-24)15-17-4-9-20(28-2)21(14-17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)

Composition: C (58.18%), H (6.28%), N (9.69%), O (18.45%), S (7.40%)

Molar Mass: 433.52

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	433.167142155
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	UGKOURNPZFDUOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.46
Topological Polar Surface Area	88.18
Polarizability	45.14
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00