2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C18H25N3O3S — CID 135401298

IUPAC2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCCC/N=C1/NC(=O)C(CC(=O)NCCc2ccc(OC)cc2)S1
InChIInChI=1S/C18H25N3O3S/c1-3-4-10-20-18-21-17(23)15(25-18)12-16(22)19-11-9-13-5-7-14(24-2)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyWYXINHCWBDIWBV-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.13
Rot. Bonds9

About 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 135401298) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID135401298
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCCC/N=C1/NC(=O)C(CC(=O)NCCc2ccc(OC)cc2)S1
InChIInChI=1S/C18H25N3O3S/c1-3-4-10-20-18-21-17(23)15(25-18)12-16(22)19-11-9-13-5-7-14(24-2)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyWYXINHCWBDIWBV-UHFFFAOYSA-N
XLogP2.13
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 135401298) is 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is CCCC/N=C1/NC(=O)C(CC(=O)NCCc2ccc(OC)cc2)S1.
What is the InChIKey of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is WYXINHCWBDIWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-4-10-20-18-21-17(23)15(25-18)12-16(22)19-11-9-13-5-7-14(24-2)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 363.48 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 135401298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).