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N-(2-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

N-(2-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

Formula: C22H28N4O2S

SMILES: CN1CCN(CC(=O)NC2=C(C(=O)NC3=CC=CC=C3C)C3=C(CCC3)S2)CC1

IUPAC: N-(2-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

InChI: InChI=1S/C22H28N4O2S/c1-15-6-3-4-8-17(15)23-21(28)20-16-7-5-9-18(16)29-22(20)24-19(27)14-26-12-10-25(2)11-13-26/h3-4,6,8H,5,7,9-14H2,1-2H3,(H,23,28)(H,24,27)

Composition: C (64.05%), H (6.84%), N (13.58%), O (7.76%), S (7.77%)

Molar Mass: 412.55

Atom Count: 57

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 412.193297332
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CISXNPSOYFONRF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.06
Topological Polar Surface Area 64.68
Polarizability 44.42
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H28N4O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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