About N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide
N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide (PubChem CID 162076149) has the molecular formula C147H152N32O22S8
and a molecular weight of 2975.57 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide (CID 162076149) is N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide is C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccoc1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccoc1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccoc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccoc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1)OC.O=C(CSc1nnc(-c2ccoc2)n1CC1OCCO1)Nc1ccccc1.O=Cn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccoc1.O=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The InChIKey is ZBSORQWSCLICKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.C20H20N4O2S.C20H24N4O2S.C18H18N4O4S.C18H20N4O4S.C18H20N4O2S.C17H14N4O3S.C15H12N4O3S/c1-5-11-25-19(15-10-12-27-13-15)23-24-20(25)28-14-18(26)22-17-8-6-16(7-9-17)21(2,3)4;1-2-10-24-19(16-9-11-26-12-16)22-23-20(24)27-13-18(25)21-17-7-5-15(6-8-17)14-3-4-14;1-5-24-18(14-10-11-26-12-14)22-23-19(24)27-13-17(25)21-16-8-6-15(7-9-16)20(2,3)4;23-15(19-14-4-2-1-3-5-14)12-27-18-21-20-17(13-6-7-24-11-13)22(18)10-16-25-8-9-26-16;1-24-16(25-2)10-22-17(13-8-9-26-11-13)20-21-18(22)27-12-15(23)19-14-6-4-3-5-7-14;1-4-22-15(13-10-11-24-12-13)20-21-17(22)25-18(2,3)16(23)19-14-8-6-5-7-9-14;22-11-21-14(12-6-9-24-10-12)19-20-16(21)25-17(7-8-17)15(23)18-13-4-2-1-3-5-13;20-10-19-14(11-6-7-22-8-11)17-18-15(19)23-9-13(21)16-12-4-2-1-3-5-12/h5-10,12-13H,1,11,14H2,2-4H3,(H,22,26);2,5-9,11-12,14H,1,3-4,10,13H2,(H,21,25);6-12H,5,13H2,1-4H3,(H,21,25);1-7,11,16H,8-10,12H2,(H,19,23);3-9,11,16H,10,12H2,1-2H3,(H,19,23);5-12H,4H2,1-3H3,(H,19,23);1-6,9-11H,7-8H2,(H,18,23);1-8,10H,9H2,(H,16,21).
What are the key properties of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide?
N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide has a molecular weight of 2975.57 g/mol, XLogP of 28.42, 55 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2,2-dimethoxyethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 162076149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).