2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide

C26H24F3N5O8S2 — CID 10153460

About 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide

2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide (PubChem CID 10153460) has the molecular formula C26H24F3N5O8S2 and a molecular weight of 655.63 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide
• PubChem CID: 10153460
• Molecular Formula: C26H24F3N5O8S2
• Molecular Weight: 655.63 g/mol
• Exact Mass: 655.10
• IUPAC Name: 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide
• SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(N)=O)c(OCC(N)=O)c1
• InChI: InChI=1S/C26H24F3N5O8S2/c1-15-18(32-9-8-20(15)42-14-26(27,28)29)13-43(37)25-33-17-4-2-3-5-19(17)34(25)44(38,39)16-6-7-21(40-11-23(30)35)22(10-16)41-12-24(31)36/h2-10H,11-14H2,1H3,(H2,30,35)(H2,31,36)
• InChIKey: FMPLYTKSJCFWNR-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 195.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.63
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?

The IUPAC name of 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide (CID 10153460) is 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide.

What is the SMILES notation for 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?

The canonical SMILES for 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide is Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(N)=O)c(OCC(N)=O)c1.

What is the InChIKey of 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?

The InChIKey is FMPLYTKSJCFWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O8S2/c1-15-18(32-9-8-20(15)42-14-26(27,28)29)13-43(37)25-33-17-4-2-3-5-19(17)34(25)44(38,39)16-6-7-21(40-11-23(30)35)22(10-16)41-12-24(31)36/h2-10H,11-14H2,1H3,(H2,30,35)(H2,31,36).

What are the key properties of 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?

2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 655.63 g/mol, XLogP of 1.95, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-amino-2-oxoethoxy)-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 10153460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).