2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide

C22H24N2O5S — CID 126221101

IUPAC2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide
SMILESCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)NCCCOC)C1=O
InChIInChI=1S/C22H24N2O5S/c1-3-29-18-10-9-15-7-4-5-8-16(15)17(18)13-19-21(26)24(22(27)30-19)14-20(25)23-11-6-12-28-2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)/b19-13-
InChIKeyVEAGGASDQYGFFF-UYRXBGFRSA-N
MW428.51 g/mol
LogP3.43
Rot. Bonds9

About 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide

2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 126221101) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide
PubChem CID126221101
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide
SMILESCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)NCCCOC)C1=O
InChIInChI=1S/C22H24N2O5S/c1-3-29-18-10-9-15-7-4-5-8-16(15)17(18)13-19-21(26)24(22(27)30-19)14-20(25)23-11-6-12-28-2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)/b19-13-
InChIKeyVEAGGASDQYGFFF-UYRXBGFRSA-N
XLogP3.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_B(16)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126147880
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126232799
2-[(5Z)-5-[(2-butoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 126179214
2-[(5Z)-5-[(2-butoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
CID 126157717
methyl 2-[(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 124643051
2-[(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-naphthalen-1-ylacetamide
CID 126371579
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126213479
2-[(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 126204598
2-[(5Z)-2,4-dioxo-5-[(2-propoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 126376063
2-[(5Z)-5-[(2-butoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 126278423
6-[[2-[(5Z)-5-(anthracen-9-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]hexanoic acid
CID 16632358
N-(3-chlorophenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126163623

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide (CID 126221101) is 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide is CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)NCCCOC)C1=O.
What is the InChIKey of 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is VEAGGASDQYGFFF-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-3-29-18-10-9-15-7-4-5-8-16(15)17(18)13-19-21(26)24(22(27)30-19)14-20(25)23-11-6-12-28-2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)/b19-13-.
What are the key properties of 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide?
2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 126221101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).