N-(cyclohexylcarbamothioyl)benzamide

C14H18N2OS — CID 895546

IUPACN-(cyclohexylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,15,16,17,18)
InChIKeyPSZJBKYIONLMPZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.62
Rot. Bonds2

About N-(cyclohexylcarbamothioyl)benzamide

N-(cyclohexylcarbamothioyl)benzamide (PubChem CID 895546) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)benzamide
PubChem CID895546
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(cyclohexylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,15,16,17,18)
InChIKeyPSZJBKYIONLMPZ-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)benzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)benzamide (CID 895546) is N-(cyclohexylcarbamothioyl)benzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)benzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)benzamide is O=C(NC(=S)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)benzamide?
The InChIKey is PSZJBKYIONLMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,15,16,17,18).
What are the key properties of N-(cyclohexylcarbamothioyl)benzamide?
N-(cyclohexylcarbamothioyl)benzamide has a molecular weight of 262.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)benzamide is sourced from PubChem (CID 895546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).