N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C24H27Cl2N3O4S — CID 87812859

IUPACN-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)SC(=C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O)NCCC1CCCC1
InChIInChI=1S/C24H27Cl2N3O4S/c25-17-5-6-18(19(26)13-17)22(31)28-11-8-16(9-12-28)21-23(32)29(24(33)34-21)14-20(30)27-10-7-15-3-1-2-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,27,30)
InChIKeyYWWJKAZYDVTMEH-UHFFFAOYSA-N
MW524.47 g/mol
LogP4.88
Rot. Bonds6

About N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 87812859) has the molecular formula C24H27Cl2N3O4S and a molecular weight of 524.47 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID87812859
Molecular FormulaC24H27Cl2N3O4S
Molecular Weight524.47 g/mol
Exact Mass523.11
IUPAC NameN-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)SC(=C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O)NCCC1CCCC1
InChIInChI=1S/C24H27Cl2N3O4S/c25-17-5-6-18(19(26)13-17)22(31)28-11-8-16(9-12-28)21-23(32)29(24(33)34-21)14-20(30)27-10-7-15-3-1-2-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,27,30)
InChIKeyYWWJKAZYDVTMEH-UHFFFAOYSA-N
XLogP4.88
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.47
LogP ≤ 54.88
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'}

Analyze N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-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-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 87812859) is N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is O=C(CN1C(=O)SC(=C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O)NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is YWWJKAZYDVTMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O4S/c25-17-5-6-18(19(26)13-17)22(31)28-11-8-16(9-12-28)21-23(32)29(24(33)34-21)14-20(30)27-10-7-15-3-1-2-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,27,30).
What are the key properties of N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 524.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-[5-[1-(2,4-dichlorobenzoyl)piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 87812859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).