2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide

C30H24FN5O6S2 — CID 16628557

IUPAC2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N\N=C\c3ccccc3F)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C30H24FN5O6S2/c31-25-9-3-1-7-21(25)17-33-35-30-36(18-23-8-5-15-41-23)29(38)27(43-30)16-20-6-2-4-10-26(20)42-19-28(37)34-22-11-13-24(14-12-22)44(32,39)40/h1-17H,18-19H2,(H,34,37)(H2,32,39,40)/b27-16-,33-17+,35-30-
InChIKeyBJPPUMUGKBRTER-XCGHRQKYSA-N
MW633.68 g/mol
LogP4.59
Rot. Bonds10

About 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide

2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 16628557) has the molecular formula C30H24FN5O6S2 and a molecular weight of 633.68 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID16628557
Molecular FormulaC30H24FN5O6S2
Molecular Weight633.68 g/mol
Exact Mass633.12
IUPAC Name2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N\N=C\c3ccccc3F)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C30H24FN5O6S2/c31-25-9-3-1-7-21(25)17-33-35-30-36(18-23-8-5-15-41-23)29(38)27(43-30)16-20-6-2-4-10-26(20)42-19-28(37)34-22-11-13-24(14-12-22)44(32,39)40/h1-17H,18-19H2,(H,34,37)(H2,32,39,40)/b27-16-,33-17+,35-30-
InChIKeyBJPPUMUGKBRTER-XCGHRQKYSA-N
XLogP4.59
TPSA156.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.68
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16627911
2-[4-bromo-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16628390
2-[2-[(Z)-[(2E)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 135773058
2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 19246185
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 135772844
2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16628427
N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 19246624
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 135772973
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-4-oxo-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 19246147
2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 19246539
2-[2-[(Z)-[(2Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 135732556
2-[2-[(Z)-[(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 16628765

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 16628557) is 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N\N=C\c3ccccc3F)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is BJPPUMUGKBRTER-XCGHRQKYSA-N. The full InChI is InChI=1S/C30H24FN5O6S2/c31-25-9-3-1-7-21(25)17-33-35-30-36(18-23-8-5-15-41-23)29(38)27(43-30)16-20-6-2-4-10-26(20)42-19-28(37)34-22-11-13-24(14-12-22)44(32,39)40/h1-17H,18-19H2,(H,34,37)(H2,32,39,40)/b27-16-,33-17+,35-30-.
What are the key properties of 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 633.68 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 16628557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).