ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate

C17H21ClN2O3S — CID 6117341

IUPACethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-2-23-17(22)13-7-5-9-15(13)19-20-16(21)11-24-10-12-6-3-4-8-14(12)18/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H,20,21)/b19-15+
InChIKeyQEFOOWYKYUNHSF-XDJHFCHBSA-N
MW368.89 g/mol
LogP3.41
Rot. Bonds7

About ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate

ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate (PubChem CID 6117341) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate
PubChem CID6117341
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Nameethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-2-23-17(22)13-7-5-9-15(13)19-20-16(21)11-24-10-12-6-3-4-8-14(12)18/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H,20,21)/b19-15+
InChIKeyQEFOOWYKYUNHSF-XDJHFCHBSA-N
XLogP3.41
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate 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

ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate
CID 129439843
ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate
CID 134123544
ethyl 4-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethyl-3-oxobutanoate
CID 103289000
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
ethyl 1-[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110994023
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126033785
2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 94863296
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 2247274
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91761779

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate?
The IUPAC name of ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate (CID 6117341) is ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate is CCOC(=O)C1CCC/C1=N\NC(=O)CSCc1ccccc1Cl.
What is the InChIKey of ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate?
The InChIKey is QEFOOWYKYUNHSF-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-2-23-17(22)13-7-5-9-15(13)19-20-16(21)11-24-10-12-6-3-4-8-14(12)18/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H,20,21)/b19-15+.
What are the key properties of ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate?
ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate has a molecular weight of 368.89 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate is sourced from PubChem (CID 6117341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).