N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C122H128F6N30O8S6 — CID 160589122

About N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 160589122) has the molecular formula C122H128F6N30O8S6 and a molecular weight of 2448.96 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 160589122
• Molecular Formula: C122H128F6N30O8S6
• Molecular Weight: 2448.96 g/mol
• Exact Mass: 2446.88
• IUPAC Name: N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• SMILES: C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccccn1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)(F)F)cn3)n2CC)cc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC(F)(F)F)cn1
• InChI: InChI=1S/C22H25N5OS.C21H21N5OS.C21H25N5OS.C20H20F3N5O2S.C20H21N5OS.C18H16F3N5O2S/c1-5-14-27-20(18-8-6-7-13-23-18)25-26-21(27)29-15-19(28)24-17-11-9-16(10-12-17)22(2,3)4;1-2-13-26-20(18-5-3-4-12-22-18)24-25-21(26)28-14-19(27)23-17-10-8-16(9-11-17)15-6-7-15;1-5-26-19(17-8-6-7-13-22-17)24-25-20(26)28-14-18(27)23-16-11-9-15(10-12-16)21(2,3)4;1-3-13-5-7-14(8-6-13)25-17(29)12-31-19-27-26-18(28(19)4-2)16-10-9-15(11-24-16)30-20(21,22)23;1-2-25-19(17-5-3-4-12-21-17)23-24-20(25)27-13-18(26)22-16-10-8-15(9-11-16)14-6-7-14;1-2-26-16(14-9-8-13(10-22-14)28-18(19,20)21)24-25-17(26)29-11-15(27)23-12-6-4-3-5-7-12/h5-13H,1,14-15H2,2-4H3,(H,24,28);2-5,8-12,15H,1,6-7,13-14H2,(H,23,27);6-13H,5,14H2,1-4H3,(H,23,27);5-11H,3-4,12H2,1-2H3,(H,25,29);3-5,8-12,14H,2,6-7,13H2,1H3,(H,22,26);3-10H,2,11H2,1H3,(H,23,27)
• InChIKey: RCTVBXFWNCPDAJ-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 454.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.96
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 160589122) is N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The canonical SMILES for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccccn1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)(F)F)cn3)n2CC)cc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC(F)(F)F)cn1.

What is the InChIKey of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The InChIKey is RCTVBXFWNCPDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS.C21H21N5OS.C21H25N5OS.C20H20F3N5O2S.C20H21N5OS.C18H16F3N5O2S/c1-5-14-27-20(18-8-6-7-13-23-18)25-26-21(27)29-15-19(28)24-17-11-9-16(10-12-17)22(2,3)4;1-2-13-26-20(18-5-3-4-12-22-18)24-25-21(26)28-14-19(27)23-17-10-8-16(9-11-17)15-6-7-15;1-5-26-19(17-8-6-7-13-22-17)24-25-20(26)28-14-18(27)23-16-11-9-15(10-12-16)21(2,3)4;1-3-13-5-7-14(8-6-13)25-17(29)12-31-19-27-26-18(28(19)4-2)16-10-9-15(11-24-16)30-20(21,22)23;1-2-25-19(17-5-3-4-12-21-17)23-24-20(25)27-13-18(26)22-16-10-8-15(9-11-16)14-6-7-14;1-2-26-16(14-9-8-13(10-22-14)28-18(19,20)21)24-25-17(26)29-11-15(27)23-12-6-4-3-5-7-12/h5-13H,1,14-15H2,2-4H3,(H,24,28);2-5,8-12,15H,1,6-7,13-14H2,(H,23,27);6-13H,5,14H2,1-4H3,(H,23,27);5-11H,3-4,12H2,1-2H3,(H,25,29);3-5,8-12,14H,2,6-7,13H2,1H3,(H,22,26);3-10H,2,11H2,1H3,(H,23,27).

What are the key properties of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 2448.96 g/mol, XLogP of 25.59, 43 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 160589122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).