N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

C25H32N2O3S2 — CID 2489221

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(CC(=O)NCCC3=CCCCC3)c2=O)s1
InChIInChI=1S/C25H32N2O3S2/c1-17-10-11-19(31-17)14-20-24(30)27(23(32-20)15-21(28)25(2,3)4)16-22(29)26-13-12-18-8-6-5-7-9-18/h8,10-11,14-15H,5-7,9,12-13,16H2,1-4H3,(H,26,29)/b20-14-,23-15-
InChIKeyDSGSMRAYQNEFAJ-GAUZVNERSA-N
MW472.68 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 2489221) has the molecular formula C25H32N2O3S2 and a molecular weight of 472.68 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID2489221
Molecular FormulaC25H32N2O3S2
Molecular Weight472.68 g/mol
Exact Mass472.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(CC(=O)NCCC3=CCCCC3)c2=O)s1
InChIInChI=1S/C25H32N2O3S2/c1-17-10-11-19(31-17)14-20-24(30)27(23(32-20)15-21(28)25(2,3)4)16-22(29)26-13-12-18-8-6-5-7-9-18/h8,10-11,14-15H,5-7,9,12-13,16H2,1-4H3,(H,26,29)/b20-14-,23-15-
InChIKeyDSGSMRAYQNEFAJ-GAUZVNERSA-N
XLogP3.51
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.68
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]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 N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 2489221) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is Cc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(CC(=O)NCCC3=CCCCC3)c2=O)s1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is DSGSMRAYQNEFAJ-GAUZVNERSA-N. The full InChI is InChI=1S/C25H32N2O3S2/c1-17-10-11-19(31-17)14-20-24(30)27(23(32-20)15-21(28)25(2,3)4)16-22(29)26-13-12-18-8-6-5-7-9-18/h8,10-11,14-15H,5-7,9,12-13,16H2,1-4H3,(H,26,29)/b20-14-,23-15-.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 472.68 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 2489221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).