3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Formula: C22H27N3O2S

SMILES: CN1CCN(CC1)C(=O)C1=C(NC(=O)C2=CC=CC(C)=C2)SC2=C1CCCC2

IUPAC: 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

InChI: InChI=1S/C22H27N3O2S/c1-15-6-5-7-16(14-15)20(26)23-21-19(17-8-3-4-9-18(17)28-21)22(27)25-12-10-24(2)11-13-25/h5-7,14H,3-4,8-13H2,1-2H3,(H,23,26)

Composition: C (66.47%), H (6.85%), N (10.57%), O (8.05%), S (8.06%)

Molar Mass: 397.54

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	397.182398295
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GDDLOBXUSKDXHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.24
Topological Polar Surface Area	52.65
Polarizability	42.69
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H27N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00