4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide

C93H106F7N17O16S7 — CID 159476517

IUPAC4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
SMILESCC(Oc1cccc(OC(F)(F)F)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.CCOc1ccccc1OC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C1[C@@H](N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3cccc(F)c3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25F3N4O3S2.C24H24F3N5O5S.C23H24FN5O3S2.C21H21N3O5S2.6H2/c26-25(27,28)19-3-1-17(2-4-19)18-9-13-31(14-10-18)22-11-15-32(23(22)33)20-5-7-21(8-6-20)37(34,35)30-24-29-12-16-36-24;1-17(36-19-3-2-4-20(15-19)37-24(25,26)27)23(33)32-13-11-31(12-14-32)18-5-7-21(8-6-18)38(34,35)30-22-9-10-28-16-29-22;24-17-2-1-3-19(16-17)27-11-13-28(14-12-27)21-8-10-29(22(21)30)18-4-6-20(7-5-18)34(31,32)26-23-25-9-15-33-23;1-2-28-17-5-3-4-6-18(17)29-19-11-13-24(20(19)25)15-7-9-16(10-8-15)31(26,27)23-21-22-12-14-30-21;;;;;;/h1-8,12,16,18,22H,9-11,13-15H2,(H,29,30);2-10,15-17H,11-14H2,1H3,(H,28,29,30);1-7,9,15-16,21H,8,10-14H2,(H,25,26);3-10,12,14,19H,2,11,13H2,1H3,(H,22,23);6*1H/t22-;;21-;;;;;;;/m0.0......./s1
InChIKeyLWLJFVSJLJROQP-PKIHMNAYSA-N
MW2075.43 g/mol
LogP16.25
Rot. Bonds28

About 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide

4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 159476517) has the molecular formula C93H106F7N17O16S7 and a molecular weight of 2075.43 g/mol. Its IUPAC name is 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
PubChem CID159476517
Molecular FormulaC93H106F7N17O16S7
Molecular Weight2075.43 g/mol
Exact Mass2073.59
IUPAC Name4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
SMILESCC(Oc1cccc(OC(F)(F)F)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.CCOc1ccccc1OC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C1[C@@H](N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3cccc(F)c3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25F3N4O3S2.C24H24F3N5O5S.C23H24FN5O3S2.C21H21N3O5S2.6H2/c26-25(27,28)19-3-1-17(2-4-19)18-9-13-31(14-10-18)22-11-15-32(23(22)33)20-5-7-21(8-6-20)37(34,35)30-24-29-12-16-36-24;1-17(36-19-3-2-4-20(15-19)37-24(25,26)27)23(33)32-13-11-31(12-14-32)18-5-7-21(8-6-18)38(34,35)30-22-9-10-28-16-29-22;24-17-2-1-3-19(16-17)27-11-13-28(14-12-27)21-8-10-29(22(21)30)18-4-6-20(7-5-18)34(31,32)26-23-25-9-15-33-23;1-2-28-17-5-3-4-6-18(17)29-19-11-13-24(20(19)25)15-7-9-16(10-8-15)31(26,27)23-21-22-12-14-30-21;;;;;;/h1-8,12,16,18,22H,9-11,13-15H2,(H,29,30);2-10,15-17H,11-14H2,1H3,(H,28,29,30);1-7,9,15-16,21H,8,10-14H2,(H,25,26);3-10,12,14,19H,2,11,13H2,1H3,(H,22,23);6*1H/t22-;;21-;;;;;;;/m0.0......./s1
InChIKeyLWLJFVSJLJROQP-PKIHMNAYSA-N
XLogP16.25
TPSA380.25 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.43
LogP ≤ 516.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide with MolForge

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Related Compounds

azane;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfinate;4-[4-[2-(3-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;pyrimidin-4-amine
CID 158053022
4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160750926
4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 161561192
4-[4-[2-(3-fluoroanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[3-(4-imidazol-1-ylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine
CID 162034543
4-[(3S)-3-[4-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(3-fluorophenyl)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide;4-[4-[2-(2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 161202050

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide (CID 159476517) is 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide is CC(Oc1cccc(OC(F)(F)F)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.CCOc1ccccc1OC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C1[C@@H](N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCN(c3cccc(F)c3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is LWLJFVSJLJROQP-PKIHMNAYSA-N. The full InChI is InChI=1S/C25H25F3N4O3S2.C24H24F3N5O5S.C23H24FN5O3S2.C21H21N3O5S2.6H2/c26-25(27,28)19-3-1-17(2-4-19)18-9-13-31(14-10-18)22-11-15-32(23(22)33)20-5-7-21(8-6-20)37(34,35)30-24-29-12-16-36-24;1-17(36-19-3-2-4-20(15-19)37-24(25,26)27)23(33)32-13-11-31(12-14-32)18-5-7-21(8-6-18)38(34,35)30-22-9-10-28-16-29-22;24-17-2-1-3-19(16-17)27-11-13-28(14-12-27)21-8-10-29(22(21)30)18-4-6-20(7-5-18)34(31,32)26-23-25-9-15-33-23;1-2-28-17-5-3-4-6-18(17)29-19-11-13-24(20(19)25)15-7-9-16(10-8-15)31(26,27)23-21-22-12-14-30-21;;;;;;/h1-8,12,16,18,22H,9-11,13-15H2,(H,29,30);2-10,15-17H,11-14H2,1H3,(H,28,29,30);1-7,9,15-16,21H,8,10-14H2,(H,25,26);3-10,12,14,19H,2,11,13H2,1H3,(H,22,23);6*1H/t22-;;21-;;;;;;;/m0.0......./s1.
What are the key properties of 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 2075.43 g/mol, XLogP of 16.25, 28 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[(3S)-2-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 159476517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).