About 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide
2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide (PubChem CID 158668148) has the molecular formula C144H130ClF8N33O10S18
and a molecular weight of 3247.49 g/mol. Its IUPAC name is 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide.
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide?
The IUPAC name of 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide (CID 158668148) is 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide is C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1-c1cccs1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.CN(C(=O)C(Cl)Sc1nnc(-c2cccs2)n1C)c1ccccc1.CN(C(=O)C(F)Sc1nnc(-c2cccs2)n1C)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1cccs1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2cccs2)C1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2cccs2)C1.O=C(Nc1ccccc1)C(SC1=NN=C(c2cccs2)C1)C(F)(F)F.
What is the InChIKey of 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide?
The InChIKey is IDPQUNLGHHFMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2.C17H16N4OS2.C16H15ClN4OS2.C16H12F3N3OS2.C16H15FN4OS2.C16H16N4OS2.C15H12F2N4OS2.2C15H12FN3OS2/c1-3-22-16(14-10-7-11-25-14)20-21-18(22)26-15(12-24-2)17(23)19-13-8-5-4-6-9-13;1-2-10-21-16(14-9-6-11-23-14)19-20-17(21)24-12-15(22)18-13-7-4-3-5-8-13;1-20(11-7-4-3-5-8-11)15(22)13(17)24-16-19-18-14(21(16)2)12-9-6-10-23-12;17-16(18,19)14(15(23)20-10-5-2-1-3-6-10)25-13-9-11(21-22-13)12-7-4-8-24-12;1-20(11-7-4-3-5-8-11)15(22)13(17)24-16-19-18-14(21(16)2)12-9-6-10-23-12;1-2-20-15(13-9-6-10-22-13)18-19-16(20)23-11-14(21)17-12-7-4-3-5-8-12;1-21-12(11-8-5-9-23-11)19-20-14(21)24-15(16,17)13(22)18-10-6-3-2-4-7-10;2*16-14(15(20)17-10-5-2-1-3-6-10)22-13-9-11(18-19-13)12-7-4-8-21-12/h4-11,15H,3,12H2,1-2H3,(H,19,23);2-9,11H,1,10,12H2,(H,18,22);3-10,13H,1-2H3;1-8,14H,9H2,(H,20,23);3-10,13H,1-2H3;3-10H,2,11H2,1H3,(H,17,21);2-9H,1H3,(H,18,22);2*1-8,14H,9H2,(H,17,20).
What are the key properties of 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide?
2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide has a molecular weight of 3247.49 g/mol, XLogP of 35.18, 48 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-fluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide);N-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-thiophen-2-yl-4H-pyrazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 158668148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).