2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C119H107F8N33O8S7 — CID 157292993

About 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 157292993) has the molecular formula C119H107F8N33O8S7 and a molecular weight of 2503.84 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 157292993
• Molecular Formula: C119H107F8N33O8S7
• Molecular Weight: 2503.84 g/mol
• Exact Mass: 2501.69
• IUPAC Name: 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1-c1ccncc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccncc2)n1C)c1ccccc1.CN(C(=O)C(F)Sc1nnc(-c2ccncc2)n1C)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccncc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccncc2)C1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2ccncc2)C1
• InChI: InChI=1S/C19H21N5O2S.C18H17N5OS.C17H15F2N5OS.C17H16FN5OS.C16H13F2N5OS.C16H12F2N4OS.C16H13FN4OS/c1-3-24-17(14-9-11-20-12-10-14)22-23-19(24)27-16(13-26-2)18(25)21-15-7-5-4-6-8-15;1-2-12-23-17(14-8-10-19-11-9-14)21-22-18(23)25-13-16(24)20-15-6-4-3-5-7-15;1-23(13-6-4-3-5-7-13)15(25)17(18,19)26-16-22-21-14(24(16)2)12-8-10-20-11-9-12;1-22(13-6-4-3-5-7-13)16(24)14(18)25-17-21-20-15(23(17)2)12-8-10-19-11-9-12;1-23-13(11-7-9-19-10-8-11)21-22-15(23)25-16(17,18)14(24)20-12-5-3-2-4-6-12;17-16(18,15(23)20-12-4-2-1-3-5-12)24-14-10-13(21-22-14)11-6-8-19-9-7-11;17-15(16(22)19-12-4-2-1-3-5-12)23-14-10-13(20-21-14)11-6-8-18-9-7-11/h4-12,16H,3,13H2,1-2H3,(H,21,25);2-11H,1,12-13H2,(H,20,24);3-11H,1-2H3;3-11,14H,1-2H3;2-10H,1H3,(H,20,24);1-9H,10H2,(H,20,23);1-9,15H,10H2,(H,19,22)
• InChIKey: BBADZNGGIMPUOJ-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 488.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.84
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 157292993) is 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1-c1ccncc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccncc2)n1C)c1ccccc1.CN(C(=O)C(F)Sc1nnc(-c2ccncc2)n1C)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccncc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccncc2)C1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2ccncc2)C1.

What is the InChIKey of 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is BBADZNGGIMPUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S.C18H17N5OS.C17H15F2N5OS.C17H16FN5OS.C16H13F2N5OS.C16H12F2N4OS.C16H13FN4OS/c1-3-24-17(14-9-11-20-12-10-14)22-23-19(24)27-16(13-26-2)18(25)21-15-7-5-4-6-8-15;1-2-12-23-17(14-8-10-19-11-9-14)21-22-18(23)25-13-16(24)20-15-6-4-3-5-7-15;1-23(13-6-4-3-5-7-13)15(25)17(18,19)26-16-22-21-14(24(16)2)12-8-10-20-11-9-12;1-22(13-6-4-3-5-7-13)16(24)14(18)25-17-21-20-15(23(17)2)12-8-10-19-11-9-12;1-23-13(11-7-9-19-10-8-11)21-22-15(23)25-16(17,18)14(24)20-12-5-3-2-4-6-12;17-16(18,15(23)20-12-4-2-1-3-5-12)24-14-10-13(21-22-14)11-6-8-19-9-7-11;17-15(16(22)19-12-4-2-1-3-5-12)23-14-10-13(20-21-14)11-6-8-18-9-7-11/h4-12,16H,3,13H2,1-2H3,(H,21,25);2-11H,1,12-13H2,(H,20,24);3-11H,1-2H3;3-11,14H,1-2H3;2-10H,1H3,(H,20,24);1-9H,10H2,(H,20,23);1-9,15H,10H2,(H,19,22).

What are the key properties of 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 2503.84 g/mol, XLogP of 22.52, 38 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 157292993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).