bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide

C148H165Cl9N22O11S6 — CID 158318204

IUPACbis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide
SMILESCN1CCN(CCCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.Cc1cc(-c2csc(NC(=O)Cc3cccc(CCCN4CCCCC4)c3)c2)ccn1.O=C(Cc1ccc(OCCCC2CCNCC2)cc1)Nc1cc(-c2ccnc(Cl)c2)cs1.O=C(Cc1ccc(OCCCN2CCNCC2)cc1Cl)Nc1cc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C26H31N3OS.C25H28Cl2N4O2S.C25H28ClN3O2S.3C24H26Cl2N4O2S/c1-20-15-23(10-11-27-20)24-18-26(31-19-24)28-25(30)17-22-8-5-7-21(16-22)9-6-14-29-12-3-2-4-13-29;1-30-8-10-31(11-9-30)7-2-12-33-21-4-3-19(22(26)16-21)14-24(32)29-25-15-20(17-34-25)18-5-6-28-23(27)13-18;26-23-15-20(9-12-28-23)21-16-25(32-17-21)29-24(30)14-19-3-5-22(6-4-19)31-13-1-2-18-7-10-27-11-8-18;2*1-29-6-8-30(9-7-29)10-11-32-20-3-2-18(21(25)15-20)13-23(31)28-24-14-19(16-33-24)17-4-5-27-22(26)12-17;25-21-15-20(32-11-1-8-30-9-6-27-7-10-30)3-2-18(21)13-23(31)29-24-14-19(16-33-24)17-4-5-28-22(26)12-17/h5,7-8,10-11,15-16,18-19H,2-4,6,9,12-14,17H2,1H3,(H,28,30);3-6,13,15-17H,2,7-12,14H2,1H3,(H,29,32);3-6,9,12,15-18,27H,1-2,7-8,10-11,13-14H2,(H,29,30);2*2-5,12,14-16H,6-11,13H2,1H3,(H,28,31);2-5,12,14-16,27H,1,6-11,13H2,(H,29,31)
InChIKeyGONHTSAIOGPWAB-UHFFFAOYSA-N
MW2939.57 g/mol
LogP31.66
Rot. Bonds51

About bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide

bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide (PubChem CID 158318204) has the molecular formula C148H165Cl9N22O11S6 and a molecular weight of 2939.57 g/mol. Its IUPAC name is bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide.

Molecular Properties

Compound Namebis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide
PubChem CID158318204
Molecular FormulaC148H165Cl9N22O11S6
Molecular Weight2939.57 g/mol
Exact Mass2932.85
IUPAC Namebis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide
SMILESCN1CCN(CCCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.Cc1cc(-c2csc(NC(=O)Cc3cccc(CCCN4CCCCC4)c3)c2)ccn1.O=C(Cc1ccc(OCCCC2CCNCC2)cc1)Nc1cc(-c2ccnc(Cl)c2)cs1.O=C(Cc1ccc(OCCCN2CCNCC2)cc1Cl)Nc1cc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C26H31N3OS.C25H28Cl2N4O2S.C25H28ClN3O2S.3C24H26Cl2N4O2S/c1-20-15-23(10-11-27-20)24-18-26(31-19-24)28-25(30)17-22-8-5-7-21(16-22)9-6-14-29-12-3-2-4-13-29;1-30-8-10-31(11-9-30)7-2-12-33-21-4-3-19(22(26)16-21)14-24(32)29-25-15-20(17-34-25)18-5-6-28-23(27)13-18;26-23-15-20(9-12-28-23)21-16-25(32-17-21)29-24(30)14-19-3-5-22(6-4-19)31-13-1-2-18-7-10-27-11-8-18;2*1-29-6-8-30(9-7-29)10-11-32-20-3-2-18(21(25)15-20)13-23(31)28-24-14-19(16-33-24)17-4-5-27-22(26)12-17;25-21-15-20(32-11-1-8-30-9-6-27-7-10-30)3-2-18(21)13-23(31)29-24-14-19(16-33-24)17-4-5-28-22(26)12-17/h5,7-8,10-11,15-16,18-19H,2-4,6,9,12-14,17H2,1H3,(H,28,30);3-6,13,15-17H,2,7-12,14H2,1H3,(H,29,32);3-6,9,12,15-18,27H,1-2,7-8,10-11,13-14H2,(H,29,30);2*2-5,12,14-16H,6-11,13H2,1H3,(H,28,31);2-5,12,14-16,27H,1,6-11,13H2,(H,29,31)
InChIKeyGONHTSAIOGPWAB-UHFFFAOYSA-N
XLogP31.66
TPSA348.07 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds51
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002939.57
LogP ≤ 531.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide with MolForge

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Related Compounds

3-(2-chlorophenyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N-diethyl-3-methyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;6-[4-(2,2-difluoroethoxy)-2-pyridinyl]-2-methyl-7H-thieno[3,2-c]pyridin-4-one;3-(4-methoxyphenyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;2-methyl-3-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;6-pyridin-2-yl-3-thiophen-2-yl-7H-thieno[3,2-c]pyridin-4-one
CID 158451878

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide?
The IUPAC name of bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide (CID 158318204) is bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide.
What is the SMILES notation for bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide?
The canonical SMILES for bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide is CN1CCN(CCCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(Cl)c4)cs3)c(Cl)c2)CC1.Cc1cc(-c2csc(NC(=O)Cc3cccc(CCCN4CCCCC4)c3)c2)ccn1.O=C(Cc1ccc(OCCCC2CCNCC2)cc1)Nc1cc(-c2ccnc(Cl)c2)cs1.O=C(Cc1ccc(OCCCN2CCNCC2)cc1Cl)Nc1cc(-c2ccnc(Cl)c2)cs1.
What is the InChIKey of bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide?
The InChIKey is GONHTSAIOGPWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3OS.C25H28Cl2N4O2S.C25H28ClN3O2S.3C24H26Cl2N4O2S/c1-20-15-23(10-11-27-20)24-18-26(31-19-24)28-25(30)17-22-8-5-7-21(16-22)9-6-14-29-12-3-2-4-13-29;1-30-8-10-31(11-9-30)7-2-12-33-21-4-3-19(22(26)16-21)14-24(32)29-25-15-20(17-34-25)18-5-6-28-23(27)13-18;26-23-15-20(9-12-28-23)21-16-25(32-17-21)29-24(30)14-19-3-5-22(6-4-19)31-13-1-2-18-7-10-27-11-8-18;2*1-29-6-8-30(9-7-29)10-11-32-20-3-2-18(21(25)15-20)13-23(31)28-24-14-19(16-33-24)17-4-5-27-22(26)12-17;25-21-15-20(32-11-1-8-30-9-6-27-7-10-30)3-2-18(21)13-23(31)29-24-14-19(16-33-24)17-4-5-28-22(26)12-17/h5,7-8,10-11,15-16,18-19H,2-4,6,9,12-14,17H2,1H3,(H,28,30);3-6,13,15-17H,2,7-12,14H2,1H3,(H,29,32);3-6,9,12,15-18,27H,1-2,7-8,10-11,13-14H2,(H,29,30);2*2-5,12,14-16H,6-11,13H2,1H3,(H,28,31);2-5,12,14-16,27H,1,6-11,13H2,(H,29,31).
What are the key properties of bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide?
bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide has a molecular weight of 2939.57 g/mol, XLogP of 31.66, 51 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide);2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-(3-piperazin-1-ylpropoxy)phenyl]-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[4-(3-piperidin-4-ylpropoxy)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperidin-1-ylpropyl)phenyl]acetamide is sourced from PubChem (CID 158318204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).