N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide

C14H18Br2N2O2S — CID 3362713

IUPACN-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NC(C)(C)C
InChIInChI=1S/C14H18Br2N2O2S/c1-8-5-9(15)6-10(16)12(8)20-7-11(19)17-13(21)18-14(2,3)4/h5-6H,7H2,1-4H3,(H2,17,18,19,21)
InChIKeyOOVDCLQMHIBHRW-UHFFFAOYSA-N
MW438.19 g/mol
LogP3.69
Rot. Bonds3

About N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide

N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 3362713) has the molecular formula C14H18Br2N2O2S and a molecular weight of 438.19 g/mol. Its IUPAC name is N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID3362713
Molecular FormulaC14H18Br2N2O2S
Molecular Weight438.19 g/mol
Exact Mass435.95
IUPAC NameN-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NC(C)(C)C
InChIInChI=1S/C14H18Br2N2O2S/c1-8-5-9(15)6-10(16)12(8)20-7-11(19)17-13(21)18-14(2,3)4/h5-6H,7H2,1-4H3,(H2,17,18,19,21)
InChIKeyOOVDCLQMHIBHRW-UHFFFAOYSA-N
XLogP3.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.19
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide 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-(2,4-dibromo-6-methylphenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 3362727
2-(2,4-dibromo-6-methylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 3357985
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4509663
2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 3382314
N-(azepane-1-carbothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3362720
ethyl 4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate
CID 4502844
2-(2,4-dibromo-6-methylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide
CID 4510147
2-(4-chlorophenyl)-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4937167
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
2-(2,4-dibromo-6-methylphenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 4509477
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
propyl 4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 3361154

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 3362713) is N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is OOVDCLQMHIBHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2S/c1-8-5-9(15)6-10(16)12(8)20-7-11(19)17-13(21)18-14(2,3)4/h5-6H,7H2,1-4H3,(H2,17,18,19,21).
What are the key properties of N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 438.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 3362713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).