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N-(5-chloro-2-methoxyphenyl)-2-{2-[(pyridin-2-ylmethyl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-{2-[(pyridin-2-ylmethyl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

Formula: C23H23ClN4O3S

SMILES: COC1=CC=C(Cl)C=C1NC(=O)C1=C(NC(=O)CNCC2=CC=CC=N2)SC2=C1CCC2

IUPAC: N-(5-chloro-2-methoxyphenyl)-2-(2-{[(pyridin-2-yl)methyl]amino}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

InChI: InChI=1S/C23H23ClN4O3S/c1-31-18-9-8-14(24)11-17(18)27-22(30)21-16-6-4-7-19(16)32-23(21)28-20(29)13-25-12-15-5-2-3-10-26-15/h2-3,5,8-11,25H,4,6-7,12-13H2,1H3,(H,27,30)(H,28,29)

Composition: C (58.66%), H (4.92%), Cl (7.53%), N (11.90%), O (10.19%), S (6.81%)

Molar Mass: 470.97

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 470.1179395
Formal Charge 0
FSP3 0.26
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey SQBXTMWVERPONP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.88
Topological Polar Surface Area 92.35
Polarizability 47.61
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H23ClN4O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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