2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate

C98H116N18O17S2 — CID 172987517

IUPAC2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate
SMILESC=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)c1O.C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccc(OC=O)c3)CC2)c1O.C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1O.COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3CS(=O)(=O)c3ccccc3)CC2)c1O
InChIInChI=1S/C28H32N4O5S.C24H28N4O4.C23H29N5O4S.C23H27N5O4/c1-37-26-13-7-10-22(28(26)34)18-29-30-27(33)20-32-16-14-31(15-17-32)19-23-8-5-6-9-24(23)21-38(35,36)25-11-3-2-4-12-25;1-2-5-20-7-4-8-21(24(20)31)15-25-26-23(30)17-28-12-10-27(11-13-28)16-19-6-3-9-22(14-19)32-18-29;1-2-4-19-5-3-6-20(23(19)30)15-25-26-22(29)17-28-13-11-27(12-14-28)16-18-7-9-21(10-8-18)33(24,31)32;1-2-5-19-7-4-8-20(23(19)30)15-24-25-22(29)17-27-12-10-26(11-13-27)16-18-6-3-9-21(14-18)28(31)32/h2-13,18,34H,14-17,19-21H2,1H3,(H,30,33);2-4,6-9,14-15,18,31H,1,5,10-13,16-17H2,(H,26,30);2-3,5-10,15,30H,1,4,11-14,16-17H2,(H,26,29)(H2,24,31,32);2-4,6-9,14-15,30H,1,5,10-13,16-17H2,(H,25,29)/b29-18+;2*25-15+;24-15+
InChIKeyPOLVTBDXUKQJFH-GKHWNXLKSA-N
MW1882.25 g/mol
LogP7.90
Rot. Bonds38

About 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate

2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate (PubChem CID 172987517) has the molecular formula C98H116N18O17S2 and a molecular weight of 1882.25 g/mol. Its IUPAC name is 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate.

Molecular Properties

Compound Name2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate
PubChem CID172987517
Molecular FormulaC98H116N18O17S2
Molecular Weight1882.25 g/mol
Exact Mass1880.82
IUPAC Name2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate
SMILESC=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)c1O.C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccc(OC=O)c3)CC2)c1O.C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1O.COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3CS(=O)(=O)c3ccccc3)CC2)c1O
InChIInChI=1S/C28H32N4O5S.C24H28N4O4.C23H29N5O4S.C23H27N5O4/c1-37-26-13-7-10-22(28(26)34)18-29-30-27(33)20-32-16-14-31(15-17-32)19-23-8-5-6-9-24(23)21-38(35,36)25-11-3-2-4-12-25;1-2-5-20-7-4-8-21(24(20)31)15-25-26-23(30)17-28-12-10-27(11-13-28)16-19-6-3-9-22(14-19)32-18-29;1-2-4-19-5-3-6-20(23(19)30)15-25-26-22(29)17-28-13-11-27(12-14-28)16-18-7-9-21(10-8-18)33(24,31)32;1-2-5-19-7-4-8-20(23(19)30)15-24-25-22(29)17-27-12-10-26(11-13-27)16-18-6-3-9-21(14-18)28(31)32/h2-13,18,34H,14-17,19-21H2,1H3,(H,30,33);2-4,6-9,14-15,18,31H,1,5,10-13,16-17H2,(H,26,30);2-3,5-10,15,30H,1,4,11-14,16-17H2,(H,26,29)(H2,24,31,32);2-4,6-9,14-15,30H,1,5,10-13,16-17H2,(H,25,29)/b29-18+;2*25-15+;24-15+
InChIKeyPOLVTBDXUKQJFH-GKHWNXLKSA-N
XLogP7.90
TPSA445.65 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds38
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001882.25
LogP ≤ 57.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate with MolForge

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Related Compounds

[3-[[4-[2-[2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate
CID 137118023
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide;2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide;2-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide;2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 172933494
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404
2-[4-[(4-aminosulfanylphenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 137084624
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 137048744
2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 137013176
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 137013199
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 135603106
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-nitrobenzamide
CID 136663059
5-(benzenesulfonylmethyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135788139
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate?
The IUPAC name of 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate (CID 172987517) is 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate.
What is the SMILES notation for 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate?
The canonical SMILES for 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate is C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)c1O.C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccc(OC=O)c3)CC2)c1O.C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1O.COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3CS(=O)(=O)c3ccccc3)CC2)c1O.
What is the InChIKey of 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate?
The InChIKey is POLVTBDXUKQJFH-GKHWNXLKSA-N. The full InChI is InChI=1S/C28H32N4O5S.C24H28N4O4.C23H29N5O4S.C23H27N5O4/c1-37-26-13-7-10-22(28(26)34)18-29-30-27(33)20-32-16-14-31(15-17-32)19-23-8-5-6-9-24(23)21-38(35,36)25-11-3-2-4-12-25;1-2-5-20-7-4-8-21(24(20)31)15-25-26-23(30)17-28-12-10-27(11-13-28)16-19-6-3-9-22(14-19)32-18-29;1-2-4-19-5-3-6-20(23(19)30)15-25-26-22(29)17-28-13-11-27(12-14-28)16-18-7-9-21(10-8-18)33(24,31)32;1-2-5-19-7-4-8-20(23(19)30)15-24-25-22(29)17-27-12-10-26(11-13-27)16-18-6-3-9-21(14-18)28(31)32/h2-13,18,34H,14-17,19-21H2,1H3,(H,30,33);2-4,6-9,14-15,18,31H,1,5,10-13,16-17H2,(H,26,30);2-3,5-10,15,30H,1,4,11-14,16-17H2,(H,26,29)(H2,24,31,32);2-4,6-9,14-15,30H,1,5,10-13,16-17H2,(H,25,29)/b29-18+;2*25-15+;24-15+.
What are the key properties of 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate?
2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate has a molecular weight of 1882.25 g/mol, XLogP of 7.90, 38 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(benzenesulfonylmethyl)phenyl]methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide;N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide;[3-[[4-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate is sourced from PubChem (CID 172987517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).