N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide

C16H22N2O2S — CID 9327285

IUPACN'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
SMILESCSCc1cccc(C(=O)NNC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22N2O2S/c1-21-11-12-6-5-9-14(10-12)16(20)18-17-15(19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOUDUBJCIQACXAF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.89
Rot. Bonds4

About N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide

N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide (PubChem CID 9327285) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
PubChem CID9327285
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
SMILESCSCc1cccc(C(=O)NNC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22N2O2S/c1-21-11-12-6-5-9-14(10-12)16(20)18-17-15(19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOUDUBJCIQACXAF-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide
CID 9327271
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 9274402
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
3-(methylsulfanylmethyl)-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 9426198
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 65120362
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
2-[[3-(methylsulfanylmethyl)benzoyl]amino]benzoic acid
CID 43353035
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N'-(cyclohexanecarbonyl)-4-(2-methylpropyl)benzohydrazide
CID 8639719
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide?
The IUPAC name of N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide (CID 9327285) is N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide?
The canonical SMILES for N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide is CSCc1cccc(C(=O)NNC(=O)C2CCCCC2)c1.
What is the InChIKey of N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide?
The InChIKey is OUDUBJCIQACXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-21-11-12-6-5-9-14(10-12)16(20)18-17-15(19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide?
N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide has a molecular weight of 306.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 9327285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).