N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide

C16H22N2O2S — CID 974699

IUPACN'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-12-7-9-14(10-8-12)21-11-15(19)17-18-16(20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyHEZQHHAGTNFLMM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.81
Rot. Bonds4

About N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide

N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide (PubChem CID 974699) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide
PubChem CID974699
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-12-7-9-14(10-8-12)21-11-15(19)17-18-16(20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyHEZQHHAGTNFLMM-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide (CID 974699) is N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide is Cc1ccc(SCC(=O)NNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide?
The InChIKey is HEZQHHAGTNFLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-7-9-14(10-8-12)21-11-15(19)17-18-16(20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide?
N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide has a molecular weight of 306.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenyl)sulfanylacetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 974699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).