ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C53H65F3N12O4S7 — CID 144500039

About ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 144500039) has the molecular formula C53H65F3N12O4S7 and a molecular weight of 1215.65 g/mol. Its IUPAC name is ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 144500039
• Molecular Formula: C53H65F3N12O4S7
• Molecular Weight: 1215.65 g/mol
• Exact Mass: 1214.32
• IUPAC Name: ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: CC.CC.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.O=C(CSc1nnc(-c2cccs2)n1C(F)(F)F)Nc1ccccc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C17H18N4O2S2.C17H18N4OS3.C15H11F3N4OS2.2C2H6.3H2/c1-23-10-9-21-16(14-8-5-11-24-14)19-20-17(21)25-12-15(22)18-13-6-3-2-4-7-13;1-23-11-9-21-16(14-8-5-10-24-14)19-20-17(21)25-12-15(22)18-13-6-3-2-4-7-13;16-15(17,18)22-13(11-7-4-8-24-11)20-21-14(22)25-9-12(23)19-10-5-2-1-3-6-10;2*1-2;;;/h2-8,11H,9-10,12H2,1H3,(H,18,22);2-8,10H,9,11-12H2,1H3,(H,18,22);1-8H,9H2,(H,19,23);2*1-2H3;3*1H
• InChIKey: UNUUWEWMWAYXQU-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 188.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1215.65
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 144500039) is ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC.CC.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.O=C(CSc1nnc(-c2cccs2)n1C(F)(F)F)Nc1ccccc1.[H][H].[H][H].[H][H].

What is the InChIKey of ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is UNUUWEWMWAYXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2.C17H18N4OS3.C15H11F3N4OS2.2C2H6.3H2/c1-23-10-9-21-16(14-8-5-11-24-14)19-20-17(21)25-12-15(22)18-13-6-3-2-4-7-13;1-23-11-9-21-16(14-8-5-10-24-14)19-20-17(21)25-12-15(22)18-13-6-3-2-4-7-13;16-15(17,18)22-13(11-7-4-8-24-11)20-21-14(22)25-9-12(23)19-10-5-2-1-3-6-10;2*1-2;;;/h2-8,11H,9-10,12H2,1H3,(H,18,22);2-8,10H,9,11-12H2,1H3,(H,18,22);1-8H,9H2,(H,19,23);2*1-2H3;3*1H.

What are the key properties of ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 1215.65 g/mol, XLogP of 14.49, 21 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[[4-(2-methoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;molecular hydrogen;N-phenyl-2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 144500039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).