2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide

C17H13F3N4OS2 — CID 71168351

IUPAC2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESNc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccn1
InChIInChI=1S/C17H13F3N4OS2/c18-17(19,20)10-8-11(12-4-3-7-26-12)23-16(15(10)21)27-9-14(25)24-13-5-1-2-6-22-13/h1-8H,9,21H2,(H,22,24,25)
InChIKeyLVBGFZIRRXIQSX-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.54
Rot. Bonds5

About 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide

2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 71168351) has the molecular formula C17H13F3N4OS2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID71168351
Molecular FormulaC17H13F3N4OS2
Molecular Weight410.45 g/mol
Exact Mass410.05
IUPAC Name2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESNc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccn1
InChIInChI=1S/C17H13F3N4OS2/c18-17(19,20)10-8-11(12-4-3-7-26-12)23-16(15(10)21)27-9-14(25)24-13-5-1-2-6-22-13/h1-8H,9,21H2,(H,22,24,25)
InChIKeyLVBGFZIRRXIQSX-UHFFFAOYSA-N
XLogP4.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide with MolForge

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Related Compounds

2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 1301831
2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
CID 2712223
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3132914
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2294047
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 5224028
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16564036
N-butan-2-yl-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 43032379
2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53334231
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1002420
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4274700
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide (CID 71168351) is 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide is Nc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccn1.
What is the InChIKey of 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is LVBGFZIRRXIQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS2/c18-17(19,20)10-8-11(12-4-3-7-26-12)23-16(15(10)21)27-9-14(25)24-13-5-1-2-6-22-13/h1-8H,9,21H2,(H,22,24,25).
What are the key properties of 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 410.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 71168351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).