2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide

C16H16N2OS — CID 854363

IUPAC2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H16N2OS/c1-11-7-9-13(10-8-11)17-16(20)18-15(19)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyQXFXEDBUBQXEDH-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.43
Rot. Bonds2

About 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide

2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide (PubChem CID 854363) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide
PubChem CID854363
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H16N2OS/c1-11-7-9-13(10-8-11)17-16(20)18-15(19)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyQXFXEDBUBQXEDH-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-Phenyl-N-benzoylthiourea
CID 728148
2-Toluanilide
CID 23466
Tenovin-1
CID 1013376
1-Benzoyl-3-phenylurea
CID 74566
N-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
N-(((4-Chlorophenyl)amino)thioxomethyl)benzamide
CID 701011
N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
CID 693365
N-(3,4-dimethylphenyl)-4-methylbenzamide
CID 668813
N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 728738
Tenovin-6
CID 24772043
4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 801912
N-[(4-phenylpiperazin-1-yl)carbonothioyl]benzamide
CID 886842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide (CID 854363) is 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide is Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide?
The InChIKey is QXFXEDBUBQXEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-7-9-13(10-8-11)17-16(20)18-15(19)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide?
2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide has a molecular weight of 284.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 854363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).