4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide

C15H22N2O2S — CID 63589751

IUPAC4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCSCC2CCCC2)cc1
InChIInChI=1S/C15H22N2O2S/c16-17-15(18)13-5-7-14(8-6-13)19-9-10-20-11-12-3-1-2-4-12/h5-8,12H,1-4,9-11,16H2,(H,17,18)
InChIKeyZZKNTEOTBZCNDP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds7

About 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide

4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide (PubChem CID 63589751) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
PubChem CID63589751
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCSCC2CCCC2)cc1
InChIInChI=1S/C15H22N2O2S/c16-17-15(18)13-5-7-14(8-6-13)19-9-10-20-11-12-3-1-2-4-12/h5-8,12H,1-4,9-11,16H2,(H,17,18)
InChIKeyZZKNTEOTBZCNDP-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'}

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Related Compounds

4-(2-ethylsulfanylethoxy)benzohydrazide
CID 63582672
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
CID 63589929
4-[3-(cyclopentylmethylsulfanyl)propoxy]aniline
CID 63119424
4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63573866
4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
CID 63580821
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide (CID 63589751) is 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide is NNC(=O)c1ccc(OCCSCC2CCCC2)cc1.
What is the InChIKey of 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
The InChIKey is ZZKNTEOTBZCNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-17-15(18)13-5-7-14(8-6-13)19-9-10-20-11-12-3-1-2-4-12/h5-8,12H,1-4,9-11,16H2,(H,17,18).
What are the key properties of 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide?
4-[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 4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide is sourced from PubChem (CID 63589751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).