2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide

C15H22N2O2S — CID 63589929

IUPAC2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccccc1OCCSCC1CCCC1
InChIInChI=1S/C15H22N2O2S/c16-17-15(18)13-7-3-4-8-14(13)19-9-10-20-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11,16H2,(H,17,18)
InChIKeyOODJGHIAWSDWEO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide

2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide (PubChem CID 63589929) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
PubChem CID63589929
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccccc1OCCSCC1CCCC1
InChIInChI=1S/C15H22N2O2S/c16-17-15(18)13-7-3-4-8-14(13)19-9-10-20-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11,16H2,(H,17,18)
InChIKeyOODJGHIAWSDWEO-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide 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

2-[3-(cyclopentylmethylsulfanyl)propoxy]benzoic acid
CID 63119953
4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
CID 63589751
2-(2-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
CID 55213700
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
1-[2-[2-(azetidin-3-ylmethylsulfanyl)ethoxy]phenyl]ethanone
CID 66290961
2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575926
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
2-pentoxybenzohydrazide
CID 54793215
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
CID 63570332
2-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
CID 54795643

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide (CID 63589929) is 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide is NNC(=O)c1ccccc1OCCSCC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
The InChIKey is OODJGHIAWSDWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-17-15(18)13-7-3-4-8-14(13)19-9-10-20-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11,16H2,(H,17,18).
What are the key properties of 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide has a molecular weight of 294.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide is sourced from PubChem (CID 63589929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).