2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide

C19H22N2O2S — CID 17099552

IUPAC2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
SMILESCOc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C19H22N2O2S/c1-12(2)14-9-5-6-11-16(14)20-19(24)21-18(22)15-10-7-8-13(3)17(15)23-4/h5-12H,1-4H3,(H2,20,21,22,24)
InChIKeyOOWZPBBJTBSPJS-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.25
Rot. Bonds4

About 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide

2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide (PubChem CID 17099552) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
PubChem CID17099552
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
SMILESCOc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C19H22N2O2S/c1-12(2)14-9-5-6-11-16(14)20-19(24)21-18(22)15-10-7-8-13(3)17(15)23-4/h5-12H,1-4H3,(H2,20,21,22,24)
InChIKeyOOWZPBBJTBSPJS-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.25
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

2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1259324
2-bromo-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094028
1-(2,6-dimethylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2421699
2-(2-ethoxyethoxy)-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17123104
2-hexoxy-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094055
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2235183
2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 2995398
N-(benzylcarbamothioyl)-2-methoxy-3-methylbenzamide
CID 17100458
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 959869
methyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate
CID 22780655

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide (CID 17099552) is 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide is COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide?
The InChIKey is OOWZPBBJTBSPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-12(2)14-9-5-6-11-16(14)20-19(24)21-18(22)15-10-7-8-13(3)17(15)23-4/h5-12H,1-4H3,(H2,20,21,22,24).
What are the key properties of 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide?
2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17099552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).