N-(phenacylcarbamothioyl)benzamide

C16H14N2O2S — CID 2305007

IUPACN-(phenacylcarbamothioyl)benzamide
SMILESO=C(CNC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-14(12-7-3-1-4-8-12)11-17-16(21)18-15(20)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,18,20,21)
InChIKeyUZBWCODGYAIFQY-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.17
Rot. Bonds4

About N-(phenacylcarbamothioyl)benzamide

N-(phenacylcarbamothioyl)benzamide (PubChem CID 2305007) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(phenacylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(phenacylcarbamothioyl)benzamide
PubChem CID2305007
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(phenacylcarbamothioyl)benzamide
SMILESO=C(CNC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-14(12-7-3-1-4-8-12)11-17-16(21)18-15(20)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,18,20,21)
InChIKeyUZBWCODGYAIFQY-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, N-[(cyclohexylamino)thioxomethyl]-
CID 895546
Benzoylthiourea
CID 2735473
N-Phenacylbenzamide
CID 259631
N-(benzylcarbamothioyl)-2-methylbenzamide
CID 854364
N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
CID 692092
2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone
CID 1267450
N-(benzamidomethyl)benzamide
CID 347743
N-(pyrrolidin-1-ylcarbonothioyl)benzamide
CID 696261
1-Benzoyl-2-thiohydantoin
CID 949912
1-Benzoyl-2-thiobiuret
CID 2735472
N-[(4-fluorobenzyl)carbamothioyl]benzamide
CID 805345
N-(benzylcarbamothioyl)benzamide
CID 700976

Frequently Asked Questions

What is the IUPAC name of N-(phenacylcarbamothioyl)benzamide?
The IUPAC name of N-(phenacylcarbamothioyl)benzamide (CID 2305007) is N-(phenacylcarbamothioyl)benzamide.
What is the SMILES notation for N-(phenacylcarbamothioyl)benzamide?
The canonical SMILES for N-(phenacylcarbamothioyl)benzamide is O=C(CNC(=S)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(phenacylcarbamothioyl)benzamide?
The InChIKey is UZBWCODGYAIFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-14(12-7-3-1-4-8-12)11-17-16(21)18-15(20)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,18,20,21).
What are the key properties of N-(phenacylcarbamothioyl)benzamide?
N-(phenacylcarbamothioyl)benzamide has a molecular weight of 298.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenacylcarbamothioyl)benzamide is sourced from PubChem (CID 2305007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).