About 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide (PubChem CID 161420996) has the molecular formula C170H158F10N34O13S9
and a molecular weight of 3363.94 g/mol. Its IUPAC name is 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide (CID 161420996) is 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide is CC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccccc1.CC(C)(C)OC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccc1.CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1-c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.CN(C(=O)C(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.CN(C(=O)C1(Sc2nnc(-c3ccccc3)n2C)CCC1)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccccc2)C1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2ccccc2)C1.
What is the InChIKey of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The InChIKey is VWSRULZBOURGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S.C21H22N4OS.C20H22N4O2S.C19H16F2N4O2S.C18H16F2N4OS.C18H17FN4OS.C17H14F2N4OS.C17H13F2N3OS.C17H14FN3OS/c1-22(2,3)30-21(29)27-18(16-10-6-4-7-11-16)25-26-20(27)31-23(14-15-23)19(28)24-17-12-8-5-9-13-17;1-24(17-12-7-4-8-13-17)19(26)21(14-9-15-21)27-20-23-22-18(25(20)2)16-10-5-3-6-11-16;1-3-24-18(15-10-6-4-7-11-15)22-23-20(24)27-17(14-26-2)19(25)21-16-12-8-5-9-13-16;1-13(26)25-16(14-9-5-3-6-10-14)22-23-18(25)28-19(20,21)17(27)24(2)15-11-7-4-8-12-15;1-23(14-11-7-4-8-12-14)16(25)18(19,20)26-17-22-21-15(24(17)2)13-9-5-3-6-10-13;1-22(14-11-7-4-8-12-14)17(24)15(19)25-18-21-20-16(23(18)2)13-9-5-3-6-10-13;1-23-14(12-8-4-2-5-9-12)21-22-16(23)25-17(18,19)15(24)20-13-10-6-3-7-11-13;18-17(19,16(23)20-13-9-5-2-6-10-13)24-15-11-14(21-22-15)12-7-3-1-4-8-12;18-16(17(22)19-13-9-5-2-6-10-13)23-15-11-14(20-21-15)12-7-3-1-4-8-12/h4-13H,14-15H2,1-3H3,(H,24,28);3-8,10-13H,9,14-15H2,1-2H3;4-13,17H,3,14H2,1-2H3,(H,21,25);3-12H,1-2H3;3-12H,1-2H3;3-12,15H,1-2H3;2-11H,1H3,(H,20,24);1-10H,11H2,(H,20,23);1-10,16H,11H2,(H,19,22).
What are the key properties of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide has a molecular weight of 3363.94 g/mol, XLogP of 36.00, 46 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;tert-butyl 3-phenyl-5-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 161420996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).