N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C26H23F3N6O5S2 — CID 118273376

About N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 118273376) has the molecular formula C26H23F3N6O5S2 and a molecular weight of 620.64 g/mol. Its IUPAC name is N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 118273376
• Molecular Formula: C26H23F3N6O5S2
• Molecular Weight: 620.64 g/mol
• Exact Mass: 620.11
• IUPAC Name: N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4cc(Oc5ccc(C(F)(F)F)cn5)ccc4n3)CC2)s1
• InChI: InChI=1S/C26H23F3N6O5S2/c1-15-24(41-25(31-15)32-16(2)36)42(38,39)35-11-9-34(10-12-35)23(37)21-6-3-17-13-19(5-7-20(17)33-21)40-22-8-4-18(14-30-22)26(27,28)29/h3-8,13-14H,9-12H2,1-2H3,(H,31,32,36)
• InChIKey: LXOAQUPOBZVQAY-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 134.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.64
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 118273376) is N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4cc(Oc5ccc(C(F)(F)F)cn5)ccc4n3)CC2)s1.

What is the InChIKey of N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is LXOAQUPOBZVQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O5S2/c1-15-24(41-25(31-15)32-16(2)36)42(38,39)35-11-9-34(10-12-35)23(37)21-6-3-17-13-19(5-7-20(17)33-21)40-22-8-4-18(14-30-22)26(27,28)29/h3-8,13-14H,9-12H2,1-2H3,(H,31,32,36).

What are the key properties of N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 620.64 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118273376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).