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

C19H11F4N3OS2 — CID 1369336

IUPAC2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H11F4N3OS2/c20-13-4-1-2-5-14(13)25-17(27)10-29-18-11(9-24)12(19(21,22)23)8-15(26-18)16-6-3-7-28-16/h1-8H,10H2,(H,25,27)
InChIKeyIBOSBZHLMPPZOS-UHFFFAOYSA-N
MW437.44 g/mol
LogP5.57
Rot. Bonds5

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

2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 1369336) has the molecular formula C19H11F4N3OS2 and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID1369336
Molecular FormulaC19H11F4N3OS2
Molecular Weight437.44 g/mol
Exact Mass437.03
IUPAC Name2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H11F4N3OS2/c20-13-4-1-2-5-14(13)25-17(27)10-29-18-11(9-24)12(19(21,22)23)8-15(26-18)16-6-3-7-28-16/h1-8H,10H2,(H,25,27)
InChIKeyIBOSBZHLMPPZOS-UHFFFAOYSA-N
XLogP5.57
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 1369336) is 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is IBOSBZHLMPPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3OS2/c20-13-4-1-2-5-14(13)25-17(27)10-29-18-11(9-24)12(19(21,22)23)8-15(26-18)16-6-3-7-28-16/h1-8H,10H2,(H,25,27).
What are the key properties of 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 437.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1369336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).