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

C22H16FN3O2S — CID 123525360

IUPACN-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C22H16FN3O2S/c23-16-7-5-15(6-8-16)18-13-24-22(21(25-18)19-2-1-11-29-19)26-20(28)12-14-3-9-17(27)10-4-14/h1-11,13,27H,12H2,(H,24,26,28)
InChIKeyNWYADWBHPSMGJC-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.90
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 123525360) has the molecular formula C22H16FN3O2S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID123525360
Molecular FormulaC22H16FN3O2S
Molecular Weight405.45 g/mol
Exact Mass405.09
IUPAC NameN-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C22H16FN3O2S/c23-16-7-5-15(6-8-16)18-13-24-22(21(25-18)19-2-1-11-29-19)26-20(28)12-14-3-9-17(27)10-4-14/h1-11,13,27H,12H2,(H,24,26,28)
InChIKeyNWYADWBHPSMGJC-UHFFFAOYSA-N
XLogP4.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (CID 123525360) is N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is NWYADWBHPSMGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S/c23-16-7-5-15(6-8-16)18-13-24-22(21(25-18)19-2-1-11-29-19)26-20(28)12-14-3-9-17(27)10-4-14/h1-11,13,27H,12H2,(H,24,26,28).
What are the key properties of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 123525360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).