2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

C15H19FN2O2S — CID 7969898

IUPAC2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CC1CCCC1
InChIInChI=1S/C15H19FN2O2S/c16-12-7-3-4-8-13(12)21-10-15(20)18-17-14(19)9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,19)(H,18,20)
InChIKeyLTZXOOXCKSAUIA-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.65
Rot. Bonds5

About 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (PubChem CID 7969898) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
PubChem CID7969898
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CC1CCCC1
InChIInChI=1S/C15H19FN2O2S/c16-12-7-3-4-8-13(12)21-10-15(20)18-17-14(19)9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,19)(H,18,20)
InChIKeyLTZXOOXCKSAUIA-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-{2-[(4-methylphenyl)thio]acetyl}cyclohexanecarbohydrazide
CID 974699
2,3-Dihydrobenzo[b]thiophene-2-carbohydrazide
CID 43091275
2-(1-adamantyl)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 8146902
5-(4-Fluorophenyl)sulfanylpentanehydrazide
CID 63580403
2-Phenyl-2-(phenylthio)acetohydrazide
CID 287838
N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 4853545
2-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7780077
N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide
CID 7969859
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide
CID 7969870
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide
CID 7969874
(3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide
CID 7969923
(2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide
CID 7969992

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (CID 7969898) is 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is O=C(CSc1ccccc1F)NNC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is LTZXOOXCKSAUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c16-12-7-3-4-8-13(12)21-10-15(20)18-17-14(19)9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 310.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 7969898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).