N-[(4-phenylphenyl)carbamothioyl]benzamide

C20H16N2OS — CID 3034180

IUPACN-[(4-phenylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-19(17-9-5-2-6-10-17)22-20(24)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H2,21,22,23,24)
InChIKeyXVAQOLJMMPBKGC-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.48
Rot. Bonds3

About N-[(4-phenylphenyl)carbamothioyl]benzamide

N-[(4-phenylphenyl)carbamothioyl]benzamide (PubChem CID 3034180) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(4-phenylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-phenylphenyl)carbamothioyl]benzamide
PubChem CID3034180
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-[(4-phenylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-19(17-9-5-2-6-10-17)22-20(24)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H2,21,22,23,24)
InChIKeyXVAQOLJMMPBKGC-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 N-[(4-phenylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-phenylphenyl)carbamothioyl]benzamide (CID 3034180) is N-[(4-phenylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-phenylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-phenylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(4-phenylphenyl)carbamothioyl]benzamide?
The InChIKey is XVAQOLJMMPBKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-19(17-9-5-2-6-10-17)22-20(24)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H2,21,22,23,24).
What are the key properties of N-[(4-phenylphenyl)carbamothioyl]benzamide?
N-[(4-phenylphenyl)carbamothioyl]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 N-[(4-phenylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 3034180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).