N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide

C112H120N14O15S — CID 159686751

IUPACN-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide
SMILESCOc1ccc(C(CCCNC(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc(C(CCNC(=O)Cc2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc(C(CNC(=O)Cc2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC
InChIInChI=1S/C38H41N5O5.C37H39N5O5.C37H40N4O5S/c1-26(28-8-5-4-6-9-28)41-20-22-42(23-21-41)32-11-7-10-30-36(32)38(46)43(37(30)45)31(29-12-13-33(47-2)34(25-29)48-3)16-19-40-35(44)24-27-14-17-39-18-15-27;1-25(27-8-5-4-6-9-27)40-18-20-41(21-19-40)30-11-7-10-29-35(30)37(45)42(36(29)44)31(28-12-13-32(46-2)33(23-28)47-3)24-39-34(43)22-26-14-16-38-17-15-26;1-25(26-10-5-4-6-11-26)39-19-21-40(22-20-39)30-13-7-12-28-34(30)37(44)41(36(28)43)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-38-35(42)33-15-9-23-47-33/h4-15,17-18,25-26,31H,16,19-24H2,1-3H3,(H,40,44);4-17,23,25,31H,18-22,24H2,1-3H3,(H,39,43);4-7,9-13,15-17,23-25,29H,8,14,18-22H2,1-3H3,(H,38,42)/t26-,31?;25-,31?;25-,29?/m111/s1
InChIKeyMVWXEYYIUVNWGF-KTANJIBSSA-N
MW1934.34 g/mol
LogP15.94
Rot. Bonds35

About N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide

N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide (PubChem CID 159686751) has the molecular formula C112H120N14O15S and a molecular weight of 1934.34 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide
PubChem CID159686751
Molecular FormulaC112H120N14O15S
Molecular Weight1934.34 g/mol
Exact Mass1932.88
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide
SMILESCOc1ccc(C(CCCNC(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc(C(CCNC(=O)Cc2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc(C(CNC(=O)Cc2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC
InChIInChI=1S/C38H41N5O5.C37H39N5O5.C37H40N4O5S/c1-26(28-8-5-4-6-9-28)41-20-22-42(23-21-41)32-11-7-10-30-36(32)38(46)43(37(30)45)31(29-12-13-33(47-2)34(25-29)48-3)16-19-40-35(44)24-27-14-17-39-18-15-27;1-25(27-8-5-4-6-9-27)40-18-20-41(21-19-40)30-11-7-10-29-35(30)37(45)42(36(29)44)31(28-12-13-32(46-2)33(23-28)47-3)24-39-34(43)22-26-14-16-38-17-15-26;1-25(26-10-5-4-6-11-26)39-19-21-40(22-20-39)30-13-7-12-28-34(30)37(44)41(36(28)43)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-38-35(42)33-15-9-23-47-33/h4-15,17-18,25-26,31H,16,19-24H2,1-3H3,(H,40,44);4-17,23,25,31H,18-22,24H2,1-3H3,(H,39,43);4-7,9-13,15-17,23-25,29H,8,14,18-22H2,1-3H3,(H,38,42)/t26-,31?;25-,31?;25-,29?/m111/s1
InChIKeyMVWXEYYIUVNWGF-KTANJIBSSA-N
XLogP15.94
TPSA300.04 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.34
LogP ≤ 515.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide with MolForge

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Related Compounds

N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-(1-phenylethyl)piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide
CID 90907318
N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(1-phenylethyl)piperazin-1-yl]isoindol-2-yl]butyl]-2-methoxyacetamide
CID 67046460
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(1-phenylethyl)piperazin-1-yl]isoindol-2-yl]butyl]-2-methoxyacetamide
CID 91578746
N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-2-ethoxyacetamide
CID 140592615
N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(1-phenylethyl)piperazin-1-yl]isoindol-2-yl]butyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 67046215
tert-butyl N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(1-phenylethyl)piperazin-1-yl]isoindol-2-yl]butyl]carbamate
CID 67046298
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]oxolane-2-carboxamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]pyridine-4-carboxamide
CID 159737313
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(methylamino)butyl]-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindole-1,3-dione
CID 58296027
N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide
CID 23627249
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-2-methylhexanamide
CID 70314425
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 58295978
4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(1-phenylethyl)piperazin-1-yl]isoindol-2-yl]-2-pyridin-4-ylbutanamide
CID 174578134

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide (CID 159686751) is N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide is COc1ccc(C(CCCNC(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc(C(CCNC(=O)Cc2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc(C(CNC(=O)Cc2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide?
The InChIKey is MVWXEYYIUVNWGF-KTANJIBSSA-N. The full InChI is InChI=1S/C38H41N5O5.C37H39N5O5.C37H40N4O5S/c1-26(28-8-5-4-6-9-28)41-20-22-42(23-21-41)32-11-7-10-30-36(32)38(46)43(37(30)45)31(29-12-13-33(47-2)34(25-29)48-3)16-19-40-35(44)24-27-14-17-39-18-15-27;1-25(27-8-5-4-6-9-27)40-18-20-41(21-19-40)30-11-7-10-29-35(30)37(45)42(36(29)44)31(28-12-13-32(46-2)33(23-28)47-3)24-39-34(43)22-26-14-16-38-17-15-26;1-25(26-10-5-4-6-11-26)39-19-21-40(22-20-39)30-13-7-12-28-34(30)37(44)41(36(28)43)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-38-35(42)33-15-9-23-47-33/h4-15,17-18,25-26,31H,16,19-24H2,1-3H3,(H,40,44);4-17,23,25,31H,18-22,24H2,1-3H3,(H,39,43);4-7,9-13,15-17,23-25,29H,8,14,18-22H2,1-3H3,(H,38,42)/t26-,31?;25-,31?;25-,29?/m111/s1.
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide?
N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide has a molecular weight of 1934.34 g/mol, XLogP of 15.94, 35 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 159686751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).