N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide

C15H26N4O3S — CID 4925619

IUPACN-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide
SMILESCCCCC(=O)NC(=S)NNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C15H26N4O3S/c1-2-3-9-12(20)17-15(23)19-18-13(21)10-16-14(22)11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,16,22)(H,18,21)(H2,17,19,20,23)
InChIKeyCHOKOHLBOZRIRZ-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.89
Rot. Bonds6

About N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide

N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide (PubChem CID 4925619) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide
PubChem CID4925619
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide
SMILESCCCCC(=O)NC(=S)NNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C15H26N4O3S/c1-2-3-9-12(20)17-15(23)19-18-13(21)10-16-14(22)11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,16,22)(H,18,21)(H2,17,19,20,23)
InChIKeyCHOKOHLBOZRIRZ-UHFFFAOYSA-N
XLogP0.89
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(butanoylamino)carbamothioyl]cyclohexanecarboxamide
CID 17340126
N-[(hexanoylamino)carbamothioyl]pentanamide
CID 4955659
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24554571
N-(cyclohexylcarbamothioyl)octanamide
CID 4958923
N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4778855
ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate
CID 6232240
N-[2-oxo-2-(propylamino)ethyl]cyclobutanecarboxamide
CID 112990469
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-propylcyclooctanecarboxamide
CID 65022755
N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24553492
N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide
CID 159611248
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide (CID 4925619) is N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide is CCCCC(=O)NC(=S)NNC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide?
The InChIKey is CHOKOHLBOZRIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-3-9-12(20)17-15(23)19-18-13(21)10-16-14(22)11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,16,22)(H,18,21)(H2,17,19,20,23).
What are the key properties of N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide has a molecular weight of 342.47 g/mol, XLogP of 0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).