N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide

C94H109F3N12O18S6 — CID 158608091

IUPACN-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide
SMILESC=CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C5CCCC5)CC4)c3C2=O)cc1OC.COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(CC(F)(F)F)CC4)c3C2=O)cc1OC
InChIInChI=1S/C33H40N4O6S2.C31H36N4O6S2.C30H33F3N4O6S2/c1-42-28-15-14-23(22-29(28)43-2)26(12-6-16-34-45(40,41)30-13-7-21-44-30)37-32(38)25-10-5-11-27(31(25)33(37)39)36-19-17-35(18-20-36)24-8-3-4-9-24;1-4-15-33-16-18-34(19-17-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-2)27(21-22)41-3)10-6-14-32-43(38,39)28-11-7-20-42-28;1-42-24-11-10-20(18-25(24)43-2)22(8-4-12-34-45(40,41)26-9-5-17-44-26)37-28(38)21-6-3-7-23(27(21)29(37)39)36-15-13-35(14-16-36)19-30(31,32)33/h5,7,10-11,13-15,21-22,24,26,34H,3-4,6,8-9,12,16-20H2,1-2H3;4-5,7-9,11-13,20-21,24,32H,1,6,10,14-19H2,2-3H3;3,5-7,9-11,17-18,22,34H,4,8,12-16,19H2,1-2H3/t26-;24-;22-/m111/s1
InChIKeyHWMHMZXJMGSMAA-KGXITUGESA-N
MW1944.37 g/mol
LogP13.64
Rot. Bonds37

About N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide

N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide (PubChem CID 158608091) has the molecular formula C94H109F3N12O18S6 and a molecular weight of 1944.37 g/mol. Its IUPAC name is N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide
PubChem CID158608091
Molecular FormulaC94H109F3N12O18S6
Molecular Weight1944.37 g/mol
Exact Mass1942.63
IUPAC NameN-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide
SMILESC=CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C5CCCC5)CC4)c3C2=O)cc1OC.COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(CC(F)(F)F)CC4)c3C2=O)cc1OC
InChIInChI=1S/C33H40N4O6S2.C31H36N4O6S2.C30H33F3N4O6S2/c1-42-28-15-14-23(22-29(28)43-2)26(12-6-16-34-45(40,41)30-13-7-21-44-30)37-32(38)25-10-5-11-27(31(25)33(37)39)36-19-17-35(18-20-36)24-8-3-4-9-24;1-4-15-33-16-18-34(19-17-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-2)27(21-22)41-3)10-6-14-32-43(38,39)28-11-7-20-42-28;1-42-24-11-10-20(18-25(24)43-2)22(8-4-12-34-45(40,41)26-9-5-17-44-26)37-28(38)21-6-3-7-23(27(21)29(37)39)36-15-13-35(14-16-36)19-30(31,32)33/h5,7,10-11,13-15,21-22,24,26,34H,3-4,6,8-9,12,16-20H2,1-2H3;4-5,7-9,11-13,20-21,24,32H,1,6,10,14-19H2,2-3H3;3,5-7,9-11,17-18,22,34H,4,8,12-16,19H2,1-2H3/t26-;24-;22-/m111/s1
InChIKeyHWMHMZXJMGSMAA-KGXITUGESA-N
XLogP13.64
TPSA325.47 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.37
LogP ≤ 513.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 25126427
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 16656749
N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 23627249
N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 23627722
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 25125422
N-(3-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)propyl)thiophene-2-sulfonamide
CID 44596867
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 44596869
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-methylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 44596870
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 44596964
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(1-oxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
CID 44597070
N-((S)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 44597398
N-(2-(3,4-dimethoxyphenyl)-2-(1,3-dioxo-4-(4-((S)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)ethyl)thiophene-2-sulfonamide
CID 45486910

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide (CID 158608091) is N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide is C=CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C5CCCC5)CC4)c3C2=O)cc1OC.COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(CC(F)(F)F)CC4)c3C2=O)cc1OC.
What is the InChIKey of N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide?
The InChIKey is HWMHMZXJMGSMAA-KGXITUGESA-N. The full InChI is InChI=1S/C33H40N4O6S2.C31H36N4O6S2.C30H33F3N4O6S2/c1-42-28-15-14-23(22-29(28)43-2)26(12-6-16-34-45(40,41)30-13-7-21-44-30)37-32(38)25-10-5-11-27(31(25)33(37)39)36-19-17-35(18-20-36)24-8-3-4-9-24;1-4-15-33-16-18-34(19-17-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-2)27(21-22)41-3)10-6-14-32-43(38,39)28-11-7-20-42-28;1-42-24-11-10-20(18-25(24)43-2)22(8-4-12-34-45(40,41)26-9-5-17-44-26)37-28(38)21-6-3-7-23(27(21)29(37)39)36-15-13-35(14-16-36)19-30(31,32)33/h5,7,10-11,13-15,21-22,24,26,34H,3-4,6,8-9,12,16-20H2,1-2H3;4-5,7-9,11-13,20-21,24,32H,1,6,10,14-19H2,2-3H3;3,5-7,9-11,17-18,22,34H,4,8,12-16,19H2,1-2H3/t26-;24-;22-/m111/s1.
What are the key properties of N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide?
N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide has a molecular weight of 1944.37 g/mol, XLogP of 13.64, 37 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-[4-(4-cyclopentylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-(4-prop-2-enylpiperazin-1-yl)isoindol-2-yl]butyl]thiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 158608091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).