N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

C23H24N2O4S — CID 126353573

IUPACN-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c1
InChIInChI=1S/C23H24N2O4S/c1-14(2)29-19-8-6-5-7-17(19)12-20-22(27)25(23(28)30-20)13-21(26)24-18-10-15(3)9-16(4)11-18/h5-12,14H,13H2,1-4H3,(H,24,26)/b20-12-
InChIKeyQZEUKWBKUCXTHJ-NDENLUEZSA-N
MW424.52 g/mol
LogP4.77
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide (PubChem CID 126353573) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
PubChem CID126353573
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c1
InChIInChI=1S/C23H24N2O4S/c1-14(2)29-19-8-6-5-7-17(19)12-20-22(27)25(23(28)30-20)13-21(26)24-18-10-15(3)9-16(4)11-18/h5-12,14H,13H2,1-4H3,(H,24,26)/b20-12-
InChIKeyQZEUKWBKUCXTHJ-NDENLUEZSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(5E)-5-[(2-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126365877
N-(2,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126336085
2-[(5E)-5-[[2-[(2S)-butan-2-yl]oxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 126163998
N-(3,5-dimethylphenyl)-2-[(5E)-2,4-dioxo-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126350020
2-[(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 126016675
N-(4-bromophenyl)-2-[(5E)-5-[[2-[(2R)-butan-2-yl]oxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126157244
2-[(5E)-2,4-dioxo-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 2257920
2-[(5E)-5-[[2-[(2S)-butan-2-yl]oxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide
CID 126182390
(5Z)-3-ethyl-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126335285
N-(2-bromophenyl)-2-[(5E)-5-[[2-[(2S)-butan-2-yl]oxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126336747
2-[(5E)-5-[[2-(2-anilino-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 126377930
ethyl 5-[[2-[(5E)-5-[[2-[(2R)-butan-2-yl]oxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-2-chlorobenzoate
CID 126179160

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide (CID 126353573) is N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is QZEUKWBKUCXTHJ-NDENLUEZSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-14(2)29-19-8-6-5-7-17(19)12-20-22(27)25(23(28)30-20)13-21(26)24-18-10-15(3)9-16(4)11-18/h5-12,14H,13H2,1-4H3,(H,24,26)/b20-12-.
What are the key properties of N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 126353573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).