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

C18H11F3N4OS2 — CID 1035852

IUPAC2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccn1
InChIInChI=1S/C18H11F3N4OS2/c19-18(20,21)12-8-13(14-4-3-7-27-14)24-17(11(12)9-22)28-10-16(26)25-15-5-1-2-6-23-15/h1-8H,10H2,(H,23,25,26)
InChIKeyHXGQTJZGWONYSH-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.83
Rot. Bonds5

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

2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 1035852) has the molecular formula C18H11F3N4OS2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID1035852
Molecular FormulaC18H11F3N4OS2
Molecular Weight420.44 g/mol
Exact Mass420.03
IUPAC Name2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccn1
InChIInChI=1S/C18H11F3N4OS2/c19-18(20,21)12-8-13(14-4-3-7-27-14)24-17(11(12)9-22)28-10-16(26)25-15-5-1-2-6-23-15/h1-8H,10H2,(H,23,25,26)
InChIKeyHXGQTJZGWONYSH-UHFFFAOYSA-N
XLogP4.83
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
CID 71601389
1-(5'-Cyano-4-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridin-6-yl)-3-ethylurea
CID 44205421
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2140504
6-Amino-2-(2-pyridylmethylthio)-4-(2-thienyl)pyridine-3,5-dicarbonitrile
CID 658085
2-Amino-6-pyridin-3-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 662367
6-Amino-4-(thiophen-2-yl)-2,2'-bipyridine-5-carbonitrile
CID 665499
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 71601255
1-ethyl-3-[5-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 135949122
1-ethyl-3-[5-[5-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 136260791
N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 151422375
2-Amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 660289
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
CID 660795

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide (CID 1035852) is 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccn1.
What is the InChIKey of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is HXGQTJZGWONYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4OS2/c19-18(20,21)12-8-13(14-4-3-7-27-14)24-17(11(12)9-22)28-10-16(26)25-15-5-1-2-6-23-15/h1-8H,10H2,(H,23,25,26).
What are the key properties of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide?
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 420.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1035852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).