N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide

C22H19ClN4O5S — CID 26186662

IUPACN-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide
SMILESO=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H19ClN4O5S/c23-15-4-1-13(2-5-15)11-19-21(29)26(22(30)33-19)10-9-24-20(28)14-3-8-17(25-16-6-7-16)18(12-14)27(31)32/h1-5,8,11-12,16,25H,6-7,9-10H2,(H,24,28)/b19-11-
InChIKeyTVJULNJDMBLJLE-ODLFYWEKSA-N
MW486.94 g/mol
LogP4.29
Rot. Bonds8

About N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide

N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide (PubChem CID 26186662) has the molecular formula C22H19ClN4O5S and a molecular weight of 486.94 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide
PubChem CID26186662
Molecular FormulaC22H19ClN4O5S
Molecular Weight486.94 g/mol
Exact Mass486.08
IUPAC NameN-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide
SMILESO=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H19ClN4O5S/c23-15-4-1-13(2-5-15)11-19-21(29)26(22(30)33-19)10-9-24-20(28)14-3-8-17(25-16-6-7-16)18(12-14)27(31)32/h1-5,8,11-12,16,25H,6-7,9-10H2,(H,24,28)/b19-11-
InChIKeyTVJULNJDMBLJLE-ODLFYWEKSA-N
XLogP4.29
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.94
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide 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

4-amino-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-nitrobenzamide
CID 27614804
N-[4-(4-chlorophenoxy)butyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 24533644
N-[3-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-oxopropyl]benzamide
CID 43009281
N-[2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55755685
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 26895260
N-[2-[5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4844563
2-(4-chlorophenyl)-N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 26186717
N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,5-difluorobenzamide
CID 43021562
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 4812381
4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 55335047
5-bromo-N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide
CID 26186710
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 27032497

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide?
The IUPAC name of N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide (CID 26186662) is N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide.
What is the SMILES notation for N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide?
The canonical SMILES for N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide is O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide?
The InChIKey is TVJULNJDMBLJLE-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H19ClN4O5S/c23-15-4-1-13(2-5-15)11-19-21(29)26(22(30)33-19)10-9-24-20(28)14-3-8-17(25-16-6-7-16)18(12-14)27(31)32/h1-5,8,11-12,16,25H,6-7,9-10H2,(H,24,28)/b19-11-.
What are the key properties of N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide?
N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide has a molecular weight of 486.94 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide is sourced from PubChem (CID 26186662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).