N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide

C25H22N2O4S — CID 5467494

IUPACN-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(C2S/C(=C\c3ccccc3O)C(=O)N2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H22N2O4S/c1-31-20-13-11-18(12-14-20)25-27(26-23(29)15-17-7-3-2-4-8-17)24(30)22(32-25)16-19-9-5-6-10-21(19)28/h2-14,16,25,28H,15H2,1H3,(H,26,29)/b22-16-
InChIKeyJKXGNUGIDWUJAD-JWGURIENSA-N
MW446.53 g/mol
LogP4.29
Rot. Bonds6

About N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide

N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide (PubChem CID 5467494) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
PubChem CID5467494
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC NameN-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(C2S/C(=C\c3ccccc3O)C(=O)N2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H22N2O4S/c1-31-20-13-11-18(12-14-20)25-27(26-23(29)15-17-7-3-2-4-8-17)24(30)22(32-25)16-19-9-5-6-10-21(19)28/h2-14,16,25,28H,15H2,1H3,(H,26,29)/b22-16-
InChIKeyJKXGNUGIDWUJAD-JWGURIENSA-N
XLogP4.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
CID 92531239
N-hydroxy-4-[(E)-[2-(4-methoxyphenyl)-4-oxo-3-[(2-phenylacetyl)amino]-1,3-thiazolidin-5-ylidene]methyl]benzeneamine oxide
CID 20832160
N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910447
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
N-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
CID 6136129
N-[(5E)-2-(4-fluorophenyl)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 177456638
N-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
CID 2867264
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(5E)-2-(1,3-benzodioxol-5-yl)-5-benzylidene-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910446
N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide
CID 163199645
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18887257
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide
CID 25023378

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide (CID 5467494) is N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide is COc1ccc(C2S/C(=C\c3ccccc3O)C(=O)N2NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide?
The InChIKey is JKXGNUGIDWUJAD-JWGURIENSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-31-20-13-11-18(12-14-20)25-27(26-23(29)15-17-7-3-2-4-8-17)24(30)22(32-25)16-19-9-5-6-10-21(19)28/h2-14,16,25,28H,15H2,1H3,(H,26,29)/b22-16-.
What are the key properties of N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide?
N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 5467494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).