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

C16H16N2OS — CID 801912

IUPAC4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1
InChIInChI=1S/C16H16N2OS/c1-11-7-9-13(10-8-11)15(19)18-16(20)17-14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyTVEBQELSYZJMFE-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.43
Rot. Bonds2

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

4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide (PubChem CID 801912) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide
PubChem CID801912
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1
InChIInChI=1S/C16H16N2OS/c1-11-7-9-13(10-8-11)15(19)18-16(20)17-14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyTVEBQELSYZJMFE-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide (CID 801912) is 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide is Cc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1.
What is the InChIKey of 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
The InChIKey is TVEBQELSYZJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-7-9-13(10-8-11)15(19)18-16(20)17-14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
4-methyl-N-[(2-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 4-methyl-N-[(2-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 801912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).