2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide

C16H15BrN2O2S — CID 1016508

IUPAC2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide
SMILESCc1cc(C)c(O)c(NC(=S)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O2S/c1-9-7-10(2)14(20)13(8-9)18-16(22)19-15(21)11-5-3-4-6-12(11)17/h3-8,20H,1-2H3,(H2,18,19,21,22)
InChIKeyFJLWYAQIEMBJNR-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.90
Rot. Bonds2

About 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide

2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide (PubChem CID 1016508) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide
PubChem CID1016508
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide
SMILESCc1cc(C)c(O)c(NC(=S)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O2S/c1-9-7-10(2)14(20)13(8-9)18-16(22)19-15(21)11-5-3-4-6-12(11)17/h3-8,20H,1-2H3,(H2,18,19,21,22)
InChIKeyFJLWYAQIEMBJNR-UHFFFAOYSA-N
XLogP3.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1343938
N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide
CID 1344932
2-bromo-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2278796
1-[(2-bromobenzoyl)amino]-3-(2,4-dimethylphenyl)thiourea
CID 3280460
2-bromo-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 22777334
2-bromo-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094028
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
5-bromo-N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 91674612
2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939197
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 4577510
5-bromo-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1345965
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-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide (CID 1016508) is 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide is Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide?
The InChIKey is FJLWYAQIEMBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-9-7-10(2)14(20)13(8-9)18-16(22)19-15(21)11-5-3-4-6-12(11)17/h3-8,20H,1-2H3,(H2,18,19,21,22).
What are the key properties of 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide?
2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide has a molecular weight of 379.28 g/mol, XLogP of 3.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1016508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).