2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C18H15N5O7S — CID 16963563

IUPAC2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C18H15N5O7S/c19-31(29,30)14-7-3-12(4-8-14)20-16(24)10-22-17(25)15(21-18(22)26)9-11-1-5-13(6-2-11)23(27)28/h1-9H,10H2,(H,20,24)(H,21,26)(H2,19,29,30)/b15-9-
InChIKeyYNXISDPJQPPGJV-DHDCSXOGSA-N
MW445.41 g/mol
LogP0.77
Rot. Bonds6

About 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 16963563) has the molecular formula C18H15N5O7S and a molecular weight of 445.41 g/mol. Its IUPAC name is 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID16963563
Molecular FormulaC18H15N5O7S
Molecular Weight445.41 g/mol
Exact Mass445.07
IUPAC Name2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C18H15N5O7S/c19-31(29,30)14-7-3-12(4-8-14)20-16(24)10-22-17(25)15(21-18(22)26)9-11-1-5-13(6-2-11)23(27)28/h1-9H,10H2,(H,20,24)(H,21,26)(H2,19,29,30)/b15-9-
InChIKeyYNXISDPJQPPGJV-DHDCSXOGSA-N
XLogP0.77
TPSA181.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16632921
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
2-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16963554
2-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16632925
2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16797924
2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 39840542
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
2-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 6240818
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126236866
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632796
N-(4-chlorophenyl)-2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632002

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 16963563) is 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1.
What is the InChIKey of 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is YNXISDPJQPPGJV-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H15N5O7S/c19-31(29,30)14-7-3-12(4-8-14)20-16(24)10-22-17(25)15(21-18(22)26)9-11-1-5-13(6-2-11)23(27)28/h1-9H,10H2,(H,20,24)(H,21,26)(H2,19,29,30)/b15-9-.
What are the key properties of 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 445.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 16963563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).