2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

C132H154F2N30O6S6 — CID 158777467

About 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 158777467) has the molecular formula C132H154F2N30O6S6 and a molecular weight of 2487.29 g/mol. Its IUPAC name is 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• PubChem CID: 158777467
• Molecular Formula: C132H154F2N30O6S6
• Molecular Weight: 2487.29 g/mol
• Exact Mass: 2485.10
• IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• SMILES: CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccncc1
• InChI: InChI=1S/C24H29N5OS.C23H27N5OS.C22H25N5OS.C22H27N5OS.C21H25N5OS.C20H21F2N5OS/c1-4-29-21(19-11-15-25-16-12-19)27-28-23(29)31-24(13-5-6-14-24)22(30)26-20-9-7-18(8-10-20)17(2)3;1-5-28-20(17-8-12-24-13-9-17)26-27-22(28)30-23(10-11-23)21(29)25-19-7-6-18(15(2)3)14-16(19)4;1-4-27-19(17-9-13-23-14-10-17)25-26-21(27)29-22(11-12-22)20(28)24-18-7-5-16(6-8-18)15(2)3;1-6-27-19(17-11-13-23-14-12-17)25-26-21(27)29-22(4,5)20(28)24-18-9-7-16(8-10-18)15(2)3;1-5-26-19(17-10-12-22-13-11-17)24-25-21(26)28-15(4)20(27)23-18-8-6-16(7-9-18)14(2)3;1-4-27-17(15-9-11-23-12-10-15)25-26-19(27)29-20(21,22)18(28)24-16-7-5-14(6-8-16)13(2)3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,26,30);6-9,12-15H,5,10-11H2,1-4H3,(H,25,29);5-10,13-15H,4,11-12H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(H,24,28);6-15H,5H2,1-4H3,(H,23,27);5-13H,4H2,1-3H3,(H,24,28)
• InChIKey: IQQLRSNSRZBSRY-UHFFFAOYSA-N
• XLogP: 29.73
• TPSA: 436.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.29
LogP ≤ 5	29.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The IUPAC name of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (CID 158777467) is 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

What is the SMILES notation for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The canonical SMILES for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccncc1.

What is the InChIKey of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The InChIKey is IQQLRSNSRZBSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS.C23H27N5OS.C22H25N5OS.C22H27N5OS.C21H25N5OS.C20H21F2N5OS/c1-4-29-21(19-11-15-25-16-12-19)27-28-23(29)31-24(13-5-6-14-24)22(30)26-20-9-7-18(8-10-20)17(2)3;1-5-28-20(17-8-12-24-13-9-17)26-27-22(28)30-23(10-11-23)21(29)25-19-7-6-18(15(2)3)14-16(19)4;1-4-27-19(17-9-13-23-14-10-17)25-26-21(27)29-22(11-12-22)20(28)24-18-7-5-16(6-8-18)15(2)3;1-6-27-19(17-11-13-23-14-12-17)25-26-21(27)29-22(4,5)20(28)24-18-9-7-16(8-10-18)15(2)3;1-5-26-19(17-10-12-22-13-11-17)24-25-21(26)28-15(4)20(27)23-18-8-6-16(7-9-18)14(2)3;1-4-27-17(15-9-11-23-12-10-15)25-26-19(27)29-20(21,22)18(28)24-16-7-5-14(6-8-16)13(2)3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,26,30);6-9,12-15H,5,10-11H2,1-4H3,(H,25,29);5-10,13-15H,4,11-12H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(H,24,28);6-15H,5H2,1-4H3,(H,23,27);5-13H,4H2,1-3H3,(H,24,28).

What are the key properties of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 2487.29 g/mol, XLogP of 29.73, 42 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 158777467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).