4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide

C24H26N2O4S — CID 3881469

IUPAC4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide
SMILESCc1ccc(C=C2SC(=O)N(CCNC(=O)CCCOc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-17-8-10-19(11-9-17)16-21-23(28)26(24(29)31-21)13-12-25-22(27)7-4-14-30-20-6-3-5-18(2)15-20/h3,5-6,8-11,15-16H,4,7,12-14H2,1-2H3,(H,25,27)
InChIKeyRECPHIJSLWSYHW-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.32
Rot. Bonds9

About 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide

4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide (PubChem CID 3881469) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide
PubChem CID3881469
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide
SMILESCc1ccc(C=C2SC(=O)N(CCNC(=O)CCCOc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-17-8-10-19(11-9-17)16-21-23(28)26(24(29)31-21)13-12-25-22(27)7-4-14-30-20-6-3-5-18(2)15-20/h3,5-6,8-11,15-16H,4,7,12-14H2,1-2H3,(H,25,27)
InChIKeyRECPHIJSLWSYHW-UHFFFAOYSA-N
XLogP4.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 46569067
2-(4-ethoxyphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 4029552
3-methoxy-N-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 7921251
N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylacetamide
CID 4694380
benzyl N-[4-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-4-oxobutyl]carbamate
CID 55883185
N-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46543614
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-phenoxybutanamide
CID 4796729
3,3-dimethyl-N-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide
CID 8923495
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2659469
2-(2-chlorophenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 4812554
2-[(5Z)-5-[(4-butoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 126181010
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanamide
CID 4824143

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide (CID 3881469) is 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide is Cc1ccc(C=C2SC(=O)N(CCNC(=O)CCCOc3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide?
The InChIKey is RECPHIJSLWSYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-8-10-19(11-9-17)16-21-23(28)26(24(29)31-21)13-12-25-22(27)7-4-14-30-20-6-3-5-18(2)15-20/h3,5-6,8-11,15-16H,4,7,12-14H2,1-2H3,(H,25,27).
What are the key properties of 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide?
4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide has a molecular weight of 438.55 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]butanamide is sourced from PubChem (CID 3881469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).