N-[(2-methylphenyl)carbamothioyl]benzamide

C15H14N2OS — CID 693365

IUPACN-[(2-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccccc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-11-7-5-6-10-13(11)16-15(19)17-14(18)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyLTGMLAWCHYYTCQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.12
Rot. Bonds2

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

N-[(2-methylphenyl)carbamothioyl]benzamide (PubChem CID 693365) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(2-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)carbamothioyl]benzamide
PubChem CID693365
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(2-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccccc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-11-7-5-6-10-13(11)16-15(19)17-14(18)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyLTGMLAWCHYYTCQ-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.12
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-[(2-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-methylphenyl)carbamothioyl]benzamide (CID 693365) is N-[(2-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-methylphenyl)carbamothioyl]benzamide is Cc1ccccc1NC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2-methylphenyl)carbamothioyl]benzamide?
The InChIKey is LTGMLAWCHYYTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-7-5-6-10-13(11)16-15(19)17-14(18)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17,18,19).
What are the key properties of N-[(2-methylphenyl)carbamothioyl]benzamide?
N-[(2-methylphenyl)carbamothioyl]benzamide has a molecular weight of 270.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 693365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).