N-(phenylcarbamothioyl)benzamide

C14H12N2OS — CID 728148

IUPACN-(phenylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
InChIKeyGVHZQIIMGRLFMX-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.81
Rot. Bonds2

About N-(phenylcarbamothioyl)benzamide

N-(phenylcarbamothioyl)benzamide (PubChem CID 728148) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)benzamide
PubChem CID728148
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(phenylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
InChIKeyGVHZQIIMGRLFMX-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.81
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-(phenylcarbamothioyl)benzamide?
The IUPAC name of N-(phenylcarbamothioyl)benzamide (CID 728148) is N-(phenylcarbamothioyl)benzamide.
What is the SMILES notation for N-(phenylcarbamothioyl)benzamide?
The canonical SMILES for N-(phenylcarbamothioyl)benzamide is O=C(NC(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-(phenylcarbamothioyl)benzamide?
The InChIKey is GVHZQIIMGRLFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18).
What are the key properties of N-(phenylcarbamothioyl)benzamide?
N-(phenylcarbamothioyl)benzamide has a molecular weight of 256.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)benzamide is sourced from PubChem (CID 728148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).