2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

C16H11F2N3OS — CID 122162296

IUPAC2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3OS/c17-11-2-1-3-12(18)14(11)16(22)21-8-13-15(20-6-5-19-13)10-4-7-23-9-10/h1-7,9H,8H2,(H,21,22)
InChIKeyWMWHCUZFSZFXTF-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.41
Rot. Bonds4

About 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (PubChem CID 122162296) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
PubChem CID122162296
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3OS/c17-11-2-1-3-12(18)14(11)16(22)21-8-13-15(20-6-5-19-13)10-4-7-23-9-10/h1-7,9H,8H2,(H,21,22)
InChIKeyWMWHCUZFSZFXTF-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281
1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122276862
5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276713
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 122276864

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (CID 122162296) is 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is O=C(NCc1nccnc1-c1ccsc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The InChIKey is WMWHCUZFSZFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-11-2-1-3-12(18)14(11)16(22)21-8-13-15(20-6-5-19-13)10-4-7-23-9-10/h1-7,9H,8H2,(H,21,22).
What are the key properties of 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide has a molecular weight of 331.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122162296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).