N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C19H15N3O7S — CID 27424817

IUPACN-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O
InChIInChI=1S/C19H15N3O7S/c1-29-15-5-3-2-4-11(15)8-16-18(25)21(19(26)30-16)10-17(24)20-13-7-6-12(22(27)28)9-14(13)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8-
InChIKeyGDAOHTXDGXHYCX-PXNMLYILSA-N
MW429.41 g/mol
LogP2.98
Rot. Bonds6

About N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 27424817) has the molecular formula C19H15N3O7S and a molecular weight of 429.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID27424817
Molecular FormulaC19H15N3O7S
Molecular Weight429.41 g/mol
Exact Mass429.06
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O
InChIInChI=1S/C19H15N3O7S/c1-29-15-5-3-2-4-11(15)8-16-18(25)21(19(26)30-16)10-17(24)20-13-7-6-12(22(27)28)9-14(13)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8-
InChIKeyGDAOHTXDGXHYCX-PXNMLYILSA-N
XLogP2.98
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(3-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 27425085
N-(2-chlorophenyl)-2-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126260250
2-[(5E)-5-[[2-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 126176809
N-(2-methoxyphenyl)-2-[(5E)-5-[(2-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126324608
2-[(5E)-5-[[2-(2,4-dinitrophenoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 126379170
2-[(5E)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 126275948
N-(2,6-dimethylphenyl)-2-[(5E)-5-[[2-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126160756
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 3579915
2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-nitrophenyl)acetamide
CID 18808544
N-(2-chlorophenyl)-2-[(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126238809
N-(2-methoxyphenyl)-2-[(5E)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126279109
N-(2-fluorophenyl)-2-[(5Z)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 1322452

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 27424817) is N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is GDAOHTXDGXHYCX-PXNMLYILSA-N. The full InChI is InChI=1S/C19H15N3O7S/c1-29-15-5-3-2-4-11(15)8-16-18(25)21(19(26)30-16)10-17(24)20-13-7-6-12(22(27)28)9-14(13)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8-.
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 429.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 27424817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).