2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide

C11H13BrN2O2S — CID 2239625

IUPAC2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide
SMILESCOCCNC(=S)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrN2O2S/c1-16-7-6-13-11(17)14-10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14,15,17)
InChIKeyOILTXEWASVUVDB-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.70
Rot. Bonds4

About 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide

2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide (PubChem CID 2239625) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide
PubChem CID2239625
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide
SMILESCOCCNC(=S)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrN2O2S/c1-16-7-6-13-11(17)14-10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14,15,17)
InChIKeyOILTXEWASVUVDB-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17045861
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1343938
2-bromo-N-(butan-2-ylcarbamothioyl)benzamide
CID 17137468
5-bromo-N-(2-methoxyethylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17051210
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 4577510
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17231502
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
CID 17353811
2-bromo-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094028
2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 4509621

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide (CID 2239625) is 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide is COCCNC(=S)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide?
The InChIKey is OILTXEWASVUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-16-7-6-13-11(17)14-10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide?
2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide has a molecular weight of 317.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide is sourced from PubChem (CID 2239625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).