4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide

C19H22N2O5S — CID 156900837

IUPAC4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide
SMILESC=CCC1SC(=O)N(Cc2ccc(C(=O)NOC3CCCCO3)cc2)C1=O
InChIInChI=1S/C19H22N2O5S/c1-2-5-15-18(23)21(19(24)27-15)12-13-7-9-14(10-8-13)17(22)20-26-16-6-3-4-11-25-16/h2,7-10,15-16H,1,3-6,11-12H2,(H,20,22)
InChIKeyWFPJGGAEWJDPBI-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.01
Rot. Bonds7

About 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide

4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide (PubChem CID 156900837) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide
PubChem CID156900837
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide
SMILESC=CCC1SC(=O)N(Cc2ccc(C(=O)NOC3CCCCO3)cc2)C1=O
InChIInChI=1S/C19H22N2O5S/c1-2-5-15-18(23)21(19(24)27-15)12-13-7-9-14(10-8-13)17(22)20-26-16-6-3-4-11-25-16/h2,7-10,15-16H,1,3-6,11-12H2,(H,20,22)
InChIKeyWFPJGGAEWJDPBI-UHFFFAOYSA-N
XLogP3.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 51130706
N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
CID 175242104
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
5-ethyl-N-(oxan-2-yloxy)furan-2-carboxamide
CID 60613092
4-[[14-methyl-13,15-dioxo-5-[2-(prop-2-enoylamino)ethoxy]-16-thia-9,12,14-triazatetracyclo[10.4.1.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-9-yl]methyl]-N-(oxan-2-yloxy)benzamide
CID 145012289
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94824413
4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
5-(oxan-2-yloxycarbamoyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 123685392
2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide
CID 95342216
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
CID 10182459
5-ethyl-2-hydroxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 95301604

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide?
The IUPAC name of 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide (CID 156900837) is 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide.
What is the SMILES notation for 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide?
The canonical SMILES for 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide is C=CCC1SC(=O)N(Cc2ccc(C(=O)NOC3CCCCO3)cc2)C1=O.
What is the InChIKey of 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide?
The InChIKey is WFPJGGAEWJDPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-5-15-18(23)21(19(24)27-15)12-13-7-9-14(10-8-13)17(22)20-26-16-6-3-4-11-25-16/h2,7-10,15-16H,1,3-6,11-12H2,(H,20,22).
What are the key properties of 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide?
4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide has a molecular weight of 390.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-5-prop-2-enyl-1,3-thiazolidin-3-yl)methyl]-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 156900837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).