(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C161H178F12N16O8S — CID 161252727

IUPAC(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2cccnc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2ccncc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2ccsc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2cnc[nH]2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/2C41H45F3N4O2.C40H44F3N3O2S.C39H44F3N5O2/c1-2-3-5-9-32-13-15-35(16-14-32)31-48(39(49)22-19-33-17-20-37(21-18-33)41(42,43)44)38(28-36-12-8-23-45-29-36)40(50)47-26-24-46(25-27-47)30-34-10-6-4-7-11-34;1-2-3-5-8-32-11-13-36(14-12-32)31-48(39(49)20-17-33-15-18-37(19-16-33)41(42,43)44)38(29-34-21-23-45-24-22-34)40(50)47-27-25-46(26-28-47)30-35-9-6-4-7-10-35;1-2-3-5-8-31-11-13-34(14-12-31)29-46(38(47)20-17-32-15-18-36(19-16-32)40(41,42)43)37(27-35-21-26-49-30-35)39(48)45-24-22-44(23-25-45)28-33-9-6-4-7-10-33;1-2-3-5-8-30-11-13-33(14-12-30)28-47(37(48)20-17-31-15-18-34(19-16-31)39(40,41)42)36(25-35-26-43-29-44-35)38(49)46-23-21-45(22-24-46)27-32-9-6-4-7-10-32/h4,6-8,10-23,29,38H,2-3,5,9,24-28,30-31H2,1H3;4,6-7,9-24,38H,2-3,5,8,25-31H2,1H3;4,6-7,9-21,26,30,37H,2-3,5,8,22-25,27-29H2,1H3;4,6-7,9-20,26,29,36H,2-3,5,8,21-25,27-28H2,1H3,(H,43,44)/b22-19+;3*20-17+/t2*38-;37-;36-/m0000/s1
InChIKeyVBMGKMHYJZCWPS-MPTHIZMSSA-N
MW2725.34 g/mol
LogP31.32
Rot. Bonds56

About (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 161252727) has the molecular formula C161H178F12N16O8S and a molecular weight of 2725.34 g/mol. Its IUPAC name is (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID161252727
Molecular FormulaC161H178F12N16O8S
Molecular Weight2725.34 g/mol
Exact Mass2723.35
IUPAC Name(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2cccnc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2ccncc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2ccsc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2cnc[nH]2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/2C41H45F3N4O2.C40H44F3N3O2S.C39H44F3N5O2/c1-2-3-5-9-32-13-15-35(16-14-32)31-48(39(49)22-19-33-17-20-37(21-18-33)41(42,43)44)38(28-36-12-8-23-45-29-36)40(50)47-26-24-46(25-27-47)30-34-10-6-4-7-11-34;1-2-3-5-8-32-11-13-36(14-12-32)31-48(39(49)20-17-33-15-18-37(19-16-33)41(42,43)44)38(29-34-21-23-45-24-22-34)40(50)47-27-25-46(26-28-47)30-35-9-6-4-7-10-35;1-2-3-5-8-31-11-13-34(14-12-31)29-46(38(47)20-17-32-15-18-36(19-16-32)40(41,42)43)37(27-35-21-26-49-30-35)39(48)45-24-22-44(23-25-45)28-33-9-6-4-7-10-33;1-2-3-5-8-30-11-13-33(14-12-30)28-47(37(48)20-17-31-15-18-34(19-16-31)39(40,41)42)36(25-35-26-43-29-44-35)38(49)46-23-21-45(22-24-46)27-32-9-6-4-7-10-32/h4,6-8,10-23,29,38H,2-3,5,9,24-28,30-31H2,1H3;4,6-7,9-24,38H,2-3,5,8,25-31H2,1H3;4,6-7,9-21,26,30,37H,2-3,5,8,22-25,27-29H2,1H3;4,6-7,9-20,26,29,36H,2-3,5,8,21-25,27-28H2,1H3,(H,43,44)/b22-19+;3*20-17+/t2*38-;37-;36-/m0000/s1
InChIKeyVBMGKMHYJZCWPS-MPTHIZMSSA-N
XLogP31.32
TPSA229.90 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds56
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002725.34
LogP ≤ 531.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

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Related Compounds

(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-butylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 59808294
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-2-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 91284460
N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-isocyanophenyl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90779079
N-[(2S)-1-[4-[(6-bromo-3-pyridinyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 91458421
(E)-N-[(2S)-1-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 59808261
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 59808313
(E)-N-[(2S)-1-oxo-3-phenyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 59808315
N-[1-(4-formylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 72567381
N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-ethylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90744486
N-benzyl-N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 91142852
(E)-N-[(2S)-1-oxo-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;prop-1-ene
CID 143444414
(E)-N-[(2S)-1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 59808289

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 161252727) is (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2cccnc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2ccncc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2ccsc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](Cc2cnc[nH]2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is VBMGKMHYJZCWPS-MPTHIZMSSA-N. The full InChI is InChI=1S/2C41H45F3N4O2.C40H44F3N3O2S.C39H44F3N5O2/c1-2-3-5-9-32-13-15-35(16-14-32)31-48(39(49)22-19-33-17-20-37(21-18-33)41(42,43)44)38(28-36-12-8-23-45-29-36)40(50)47-26-24-46(25-27-47)30-34-10-6-4-7-11-34;1-2-3-5-8-32-11-13-36(14-12-32)31-48(39(49)20-17-33-15-18-37(19-16-33)41(42,43)44)38(29-34-21-23-45-24-22-34)40(50)47-27-25-46(26-28-47)30-35-9-6-4-7-10-35;1-2-3-5-8-31-11-13-34(14-12-31)29-46(38(47)20-17-32-15-18-36(19-16-32)40(41,42)43)37(27-35-21-26-49-30-35)39(48)45-24-22-44(23-25-45)28-33-9-6-4-7-10-33;1-2-3-5-8-30-11-13-33(14-12-30)28-47(37(48)20-17-31-15-18-34(19-16-31)39(40,41)42)36(25-35-26-43-29-44-35)38(49)46-23-21-45(22-24-46)27-32-9-6-4-7-10-32/h4,6-8,10-23,29,38H,2-3,5,9,24-28,30-31H2,1H3;4,6-7,9-24,38H,2-3,5,8,25-31H2,1H3;4,6-7,9-21,26,30,37H,2-3,5,8,22-25,27-29H2,1H3;4,6-7,9-20,26,29,36H,2-3,5,8,21-25,27-28H2,1H3,(H,43,44)/b22-19+;3*20-17+/t2*38-;37-;36-/m0000/s1.
What are the key properties of (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 2725.34 g/mol, XLogP of 31.32, 56 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 161252727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).