N-[(3,4-dimethylphenyl)carbamothioyl]benzamide

C16H16N2OS — CID 730239

IUPACN-[(3,4-dimethylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-8-9-14(10-12(11)2)17-16(20)18-15(19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyPYCZWBTZQZQFQN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.43
Rot. Bonds2

About N-[(3,4-dimethylphenyl)carbamothioyl]benzamide

N-[(3,4-dimethylphenyl)carbamothioyl]benzamide (PubChem CID 730239) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamothioyl]benzamide
PubChem CID730239
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(3,4-dimethylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-8-9-14(10-12(11)2)17-16(20)18-15(19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyPYCZWBTZQZQFQN-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 N-[(3,4-dimethylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamothioyl]benzamide (CID 730239) is N-[(3,4-dimethylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamothioyl]benzamide is Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamothioyl]benzamide?
The InChIKey is PYCZWBTZQZQFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-8-9-14(10-12(11)2)17-16(20)18-15(19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[(3,4-dimethylphenyl)carbamothioyl]benzamide?
N-[(3,4-dimethylphenyl)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 N-[(3,4-dimethylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 730239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).