4-phenyl-N-(phenylcarbamothioyl)benzamide

C20H16N2OS — CID 884094

IUPAC4-phenyl-N-(phenylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2OS/c23-19(22-20(24)21-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H2,21,22,23,24)
InChIKeyPCAKRDDWPJPCSL-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.48
Rot. Bonds3

About 4-phenyl-N-(phenylcarbamothioyl)benzamide

4-phenyl-N-(phenylcarbamothioyl)benzamide (PubChem CID 884094) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-phenyl-N-(phenylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(phenylcarbamothioyl)benzamide
PubChem CID884094
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name4-phenyl-N-(phenylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2OS/c23-19(22-20(24)21-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H2,21,22,23,24)
InChIKeyPCAKRDDWPJPCSL-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.48
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 4-phenyl-N-(phenylcarbamothioyl)benzamide?
The IUPAC name of 4-phenyl-N-(phenylcarbamothioyl)benzamide (CID 884094) is 4-phenyl-N-(phenylcarbamothioyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(phenylcarbamothioyl)benzamide?
The canonical SMILES for 4-phenyl-N-(phenylcarbamothioyl)benzamide is O=C(NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(phenylcarbamothioyl)benzamide?
The InChIKey is PCAKRDDWPJPCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-19(22-20(24)21-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H2,21,22,23,24).
What are the key properties of 4-phenyl-N-(phenylcarbamothioyl)benzamide?
4-phenyl-N-(phenylcarbamothioyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(phenylcarbamothioyl)benzamide is sourced from PubChem (CID 884094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).