N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C23H17N3O6S — CID 1329703

IUPACN-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1
InChIInChI=1S/C23H17N3O6S/c1-14-2-6-16(7-3-14)24-21(27)13-25-22(28)20(33-23(25)29)12-18-10-11-19(32-18)15-4-8-17(9-5-15)26(30)31/h2-12H,13H2,1H3,(H,24,27)
InChIKeyUTQHTPSDPWVJCR-UHFFFAOYSA-N
MW463.47 g/mol
LogP4.84
Rot. Bonds6

About N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 1329703) has the molecular formula C23H17N3O6S and a molecular weight of 463.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID1329703
Molecular FormulaC23H17N3O6S
Molecular Weight463.47 g/mol
Exact Mass463.08
IUPAC NameN-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1
InChIInChI=1S/C23H17N3O6S/c1-14-2-6-16(7-3-14)24-21(27)13-25-22(28)20(33-23(25)29)12-18-10-11-19(32-18)15-4-8-17(9-5-15)26(30)31/h2-12H,13H2,1H3,(H,24,27)
InChIKeyUTQHTPSDPWVJCR-UHFFFAOYSA-N
XLogP4.84
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126161256
N-(4-methylphenyl)-2-[(5E)-5-[(5-nitrofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 21231482
N-(3-chlorophenyl)-2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126176150
methyl 2-chloro-5-[[2-[(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoate
CID 126160491
N-(3,5-dimethylphenyl)-2-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126362994
N-(4-methoxyphenyl)-2-[(5E)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126169139
N-(4-bromophenyl)-2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126165977
2-[(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 73253833
2-[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,5-dimethylphenyl)acetamide
CID 126279562
2-[(5Z)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 6281902
N-(4-bromophenyl)-2-[(5E)-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126209158
2-[(5E)-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 124664843

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 1329703) is N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is UTQHTPSDPWVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O6S/c1-14-2-6-16(7-3-14)24-21(27)13-25-22(28)20(33-23(25)29)12-18-10-11-19(32-18)15-4-8-17(9-5-15)26(30)31/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 463.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 1329703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).