2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide

C22H22FN3OS — CID 70830209

IUPAC2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C22H22FN3OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13H2,(H,24,26,27)
InChIKeyUIICYOUVCLGYAD-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.92
Rot. Bonds5

About 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide

2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide (PubChem CID 70830209) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide
PubChem CID70830209
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C22H22FN3OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13H2,(H,24,26,27)
InChIKeyUIICYOUVCLGYAD-UHFFFAOYSA-N
XLogP5.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide (CID 70830209) is 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide is O=C(CC1CCCCC1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1.
What is the InChIKey of 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The InChIKey is UIICYOUVCLGYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13H2,(H,24,26,27).
What are the key properties of 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide?
2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide is sourced from PubChem (CID 70830209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).