N-(benzylcarbamothioyl)-2-methylbenzamide

C16H16N2OS — CID 854364

IUPACN-(benzylcarbamothioyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=S)NCc1ccccc1
InChIInChI=1S/C16H16N2OS/c1-12-7-5-6-10-14(12)15(19)18-16(20)17-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18,19,20)
InChIKeyOFJIRGSYJFNHRJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.80
Rot. Bonds3

About N-(benzylcarbamothioyl)-2-methylbenzamide

N-(benzylcarbamothioyl)-2-methylbenzamide (PubChem CID 854364) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(benzylcarbamothioyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(benzylcarbamothioyl)-2-methylbenzamide
PubChem CID854364
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(benzylcarbamothioyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=S)NCc1ccccc1
InChIInChI=1S/C16H16N2OS/c1-12-7-5-6-10-14(12)15(19)18-16(20)17-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18,19,20)
InChIKeyOFJIRGSYJFNHRJ-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.80
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-(benzylcarbamothioyl)-2-methylbenzamide?
The IUPAC name of N-(benzylcarbamothioyl)-2-methylbenzamide (CID 854364) is N-(benzylcarbamothioyl)-2-methylbenzamide.
What is the SMILES notation for N-(benzylcarbamothioyl)-2-methylbenzamide?
The canonical SMILES for N-(benzylcarbamothioyl)-2-methylbenzamide is Cc1ccccc1C(=O)NC(=S)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamothioyl)-2-methylbenzamide?
The InChIKey is OFJIRGSYJFNHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-7-5-6-10-14(12)15(19)18-16(20)17-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(benzylcarbamothioyl)-2-methylbenzamide?
N-(benzylcarbamothioyl)-2-methylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamothioyl)-2-methylbenzamide is sourced from PubChem (CID 854364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).