2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide

C16H20N2O3S — CID 42932786

IUPAC2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S/c19-16(12-13-4-1-2-5-13)17-14-6-8-15(9-7-14)18-10-3-11-22(18,20)21/h1,4,6-9,13H,2-3,5,10-12H2,(H,17,19)
InChIKeyBJHHVKKNFCGGDW-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide

2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide (PubChem CID 42932786) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
PubChem CID42932786
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S/c19-16(12-13-4-1-2-5-13)17-14-6-8-15(9-7-14)18-10-3-11-22(18,20)21/h1,4,6-9,13H,2-3,5,10-12H2,(H,17,19)
InChIKeyBJHHVKKNFCGGDW-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 124852077
N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 7627719
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 98207362
2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide
CID 78809324
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303619
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide (CID 42932786) is 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide is O=C(CC1C=CCC1)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The InChIKey is BJHHVKKNFCGGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-16(12-13-4-1-2-5-13)17-14-6-8-15(9-7-14)18-10-3-11-22(18,20)21/h1,4,6-9,13H,2-3,5,10-12H2,(H,17,19).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 42932786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).