2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide

C25H28N2O4S — CID 42904321

IUPAC2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H28N2O4S/c1-16(2)18-9-11-19(12-10-18)17(3)26-23(29)14-27-24(30)15-32-25(27)13-21(28)20-7-5-6-8-22(20)31-4/h5-13,16-17H,14-15H2,1-4H3,(H,26,29)/b25-13-
InChIKeyLNZZWRLYULOZNH-MXAYSNPKSA-N
MW452.58 g/mol
LogP4.30
Rot. Bonds8

About 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide

2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 42904321) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID42904321
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H28N2O4S/c1-16(2)18-9-11-19(12-10-18)17(3)26-23(29)14-27-24(30)15-32-25(27)13-21(28)20-7-5-6-8-22(20)31-4/h5-13,16-17H,14-15H2,1-4H3,(H,26,29)/b25-13-
InChIKeyLNZZWRLYULOZNH-MXAYSNPKSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-[3-[2-(benzhydrylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2115461
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687213
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7707000
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55961677
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide
CID 20886069
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687289
(2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 7707024
(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 7707010
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 55542327

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide (CID 42904321) is 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide is COc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is LNZZWRLYULOZNH-MXAYSNPKSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-16(2)18-9-11-19(12-10-18)17(3)26-23(29)14-27-24(30)15-32-25(27)13-21(28)20-7-5-6-8-22(20)31-4/h5-13,16-17H,14-15H2,1-4H3,(H,26,29)/b25-13-.
What are the key properties of 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 42904321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).