About (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
(E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 158086424) has the molecular formula C185H186F12N26O9S2
and a molecular weight of 3209.81 g/mol. Its IUPAC name is (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
Analyze (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 158086424) is (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C([C@H](Cc1c[nH]c2ccccc12)N(Cc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1ccc(O)cc1)N(Cc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1csc2ccccc12)N(Cc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1cscn1)N(Cc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FNOMJGDRGGFTQU-OBDWSEHKSA-N. The full InChI is InChI=1S/C48H48F3N7O2.C48H47F3N6O2S.C46H47F3N6O3.C43H44F3N7O2S/c49-48(50,51)40-18-13-36(14-19-40)17-22-46(59)58(35-38-15-20-41(21-16-38)55-28-30-56(31-29-55)45-12-6-7-23-52-45)44(32-39-33-53-43-11-5-4-10-42(39)43)47(60)57-26-24-54(25-27-57)34-37-8-2-1-3-9-37;49-48(50,51)40-18-13-36(14-19-40)17-22-46(58)57(34-38-15-20-41(21-16-38)54-28-30-55(31-29-54)45-12-6-7-23-52-45)43(32-39-35-60-44-11-5-4-10-42(39)44)47(59)56-26-24-53(25-27-56)33-37-8-2-1-3-9-37;47-46(48,49)39-16-9-35(10-17-39)15-22-44(57)55(34-38-11-18-40(19-12-38)52-28-30-53(31-29-52)43-8-4-5-23-50-43)42(32-36-13-20-41(56)21-14-36)45(58)54-26-24-51(25-27-54)33-37-6-2-1-3-7-37;44-43(45,46)36-14-9-33(10-15-36)13-18-41(54)53(30-35-11-16-38(17-12-35)50-24-26-51(27-25-50)40-8-4-5-19-47-40)39(28-37-31-56-32-48-37)42(55)52-22-20-49(21-23-52)29-34-6-2-1-3-7-34/h1-23,33,44,53H,24-32,34-35H2;1-23,35,43H,24-34H2;1-23,42,56H,24-34H2;1-19,31-32,39H,20-30H2/b2*22-17+;22-15+;18-13+/t44-;43-;42-;39-/m0000/s1.
What are the key properties of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 3209.81 g/mol, XLogP of 30.56, 48 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 158086424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).