About 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 159561539) has the molecular formula C187H203FN40O12S8
and a molecular weight of 3478.48 g/mol. Its IUPAC name is 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
Frequently Asked Questions
What is the IUPAC name of 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 159561539) is 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C=CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccnc1.C=CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cncc(F)c1.CC(=O)n1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccnc1.CC(Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2cccnc2)n1C(=O)OC(C)(C)C)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2cccnc2)n1C(C)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2cccnc2)n1C=O)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is MGRKODQWFRUYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5OS.C26H27N5OS.C25H25N5OS.C24H29N5O3S.C22H24FN5OS.C22H25N5OS.C21H23N5O2S.C20H21N5O2S/c1-18(2)21-12-14-24(15-13-21)29-26(33)20(4)34-27-31-30-25(23-11-8-16-28-17-23)32(27)19(3)22-9-6-5-7-10-22;1-18(2)21-11-13-23(14-12-21)28-25(32)19(3)33-26-30-29-24(22-10-7-15-27-16-22)31(26)17-20-8-5-4-6-9-20;1-17(2)19-11-13-21(14-12-19)27-24(31)18(3)32-25-29-28-23(20-8-7-15-26-16-20)30(25)22-9-5-4-6-10-22;1-15(2)17-9-11-19(12-10-17)26-21(30)16(3)33-22-28-27-20(18-8-7-13-25-14-18)29(22)23(31)32-24(4,5)6;1-5-10-28-20(17-11-18(23)13-24-12-17)26-27-22(28)30-15(4)21(29)25-19-8-6-16(7-9-19)14(2)3;1-5-13-27-20(18-7-6-12-23-14-18)25-26-22(27)29-16(4)21(28)24-19-10-8-17(9-11-19)15(2)3;1-13(2)16-7-9-18(10-8-16)23-20(28)14(3)29-21-25-24-19(26(21)15(4)27)17-6-5-11-22-12-17;1-13(2)15-6-8-17(9-7-15)22-19(27)14(3)28-20-24-23-18(25(20)12-26)16-5-4-10-21-11-16/h5-20H,1-4H3,(H,29,33);4-16,18-19H,17H2,1-3H3,(H,28,32);4-18H,1-3H3,(H,27,31);7-16H,1-6H3,(H,26,30);5-9,11-15H,1,10H2,2-4H3,(H,25,29);5-12,14-16H,1,13H2,2-4H3,(H,24,28);5-14H,1-4H3,(H,23,28);4-14H,1-3H3,(H,22,27).
What are the key properties of 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 3478.48 g/mol, XLogP of 40.30, 58 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-5-pyridin-3-yl-1,2,4-triazole-4-carboxylate;2-[[5-(5-fluoro-3-pyridinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-formyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 159561539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).