2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide

C23H17F2N3O2S — CID 123552209

IUPAC2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(CO)cc2)nc1-c1cccs1
InChIInChI=1S/C23H17F2N3O2S/c24-17-8-5-15(10-18(17)25)11-21(30)28-23-22(20-2-1-9-31-20)27-19(12-26-23)16-6-3-14(13-29)4-7-16/h1-10,12,29H,11,13H2,(H,26,28,30)
InChIKeyKHRYZPFVWMRHQT-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.82
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide

2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide (PubChem CID 123552209) has the molecular formula C23H17F2N3O2S and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
PubChem CID123552209
Molecular FormulaC23H17F2N3O2S
Molecular Weight437.47 g/mol
Exact Mass437.10
IUPAC Name2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(CO)cc2)nc1-c1cccs1
InChIInChI=1S/C23H17F2N3O2S/c24-17-8-5-15(10-18(17)25)11-21(30)28-23-22(20-2-1-9-31-20)27-19(12-26-23)16-6-3-14(13-29)4-7-16/h1-10,12,29H,11,13H2,(H,26,28,30)
InChIKeyKHRYZPFVWMRHQT-UHFFFAOYSA-N
XLogP4.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide (CID 123552209) is 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(CO)cc2)nc1-c1cccs1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The InChIKey is KHRYZPFVWMRHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2S/c24-17-8-5-15(10-18(17)25)11-21(30)28-23-22(20-2-1-9-31-20)27-19(12-26-23)16-6-3-14(13-29)4-7-16/h1-10,12,29H,11,13H2,(H,26,28,30).
What are the key properties of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide has a molecular weight of 437.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide is sourced from PubChem (CID 123552209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).