2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide

C17H13F2N3OS — CID 122163097

IUPAC2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1nccnc1-c1cccs1
InChIInChI=1S/C17H13F2N3OS/c18-12-4-3-11(13(19)9-12)8-16(23)22-10-14-17(21-6-5-20-14)15-2-1-7-24-15/h1-7,9H,8,10H2,(H,22,23)
InChIKeyBRIDKSDRFQBRRT-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.34
Rot. Bonds5

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

2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide (PubChem CID 122163097) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
PubChem CID122163097
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1nccnc1-c1cccs1
InChIInChI=1S/C17H13F2N3OS/c18-12-4-3-11(13(19)9-12)8-16(23)22-10-14-17(21-6-5-20-14)15-2-1-7-24-15/h1-7,9H,8,10H2,(H,22,23)
InChIKeyBRIDKSDRFQBRRT-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163125
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291
N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
CID 122163086
3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 131704068
2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 122244550
1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163123
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 119106294
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166183
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide (CID 122163097) is 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide is O=C(Cc1ccc(F)cc1F)NCc1nccnc1-c1cccs1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide?
The InChIKey is BRIDKSDRFQBRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c18-12-4-3-11(13(19)9-12)8-16(23)22-10-14-17(21-6-5-20-14)15-2-1-7-24-15/h1-7,9H,8,10H2,(H,22,23).
What are the key properties of 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide?
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 122163097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).