N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide

C20H24N2O2S — CID 4945827

IUPACN-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
SMILESCc1ccc(C)c(NC(=S)NC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C20H24N2O2S/c1-13(2)12-24-18-8-6-5-7-16(18)19(23)22-20(25)21-17-11-14(3)9-10-15(17)4/h5-11,13H,12H2,1-4H3,(H2,21,22,23,25)
InChIKeyIIPQJEYOVCYVBC-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.47
Rot. Bonds5

About N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide

N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide (PubChem CID 4945827) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
PubChem CID4945827
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
SMILESCc1ccc(C)c(NC(=S)NC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C20H24N2O2S/c1-13(2)12-24-18-8-6-5-7-16(18)19(23)22-20(25)21-17-11-14(3)9-10-15(17)4/h5-11,13H,12H2,1-4H3,(H2,21,22,23,25)
InChIKeyIIPQJEYOVCYVBC-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945953
2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 4926717
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17113367
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
5-bromo-N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 54784785
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17143030
N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4946159
N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4946157
ethyl 4-[[2-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 4945828
5-bromo-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17094596

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide (CID 4945827) is N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide is Cc1ccc(C)c(NC(=S)NC(=O)c2ccccc2OCC(C)C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is IIPQJEYOVCYVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13(2)12-24-18-8-6-5-7-16(18)19(23)22-20(25)21-17-11-14(3)9-10-15(17)4/h5-11,13H,12H2,1-4H3,(H2,21,22,23,25).
What are the key properties of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide?
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4945827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).