3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide

C17H16Br2N2O3S — CID 17113663

IUPAC3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
SMILESCCc1ccc(O)c(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)c1
InChIInChI=1S/C17H16Br2N2O3S/c1-3-9-4-5-14(22)13(6-9)20-17(25)21-16(23)11-7-10(18)8-12(19)15(11)24-2/h4-8,22H,3H2,1-2H3,(H2,20,21,23,25)
InChIKeyAHPSWKDLIVYFGZ-UHFFFAOYSA-N
MW488.20 g/mol
LogP4.61
Rot. Bonds4

About 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide

3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide (PubChem CID 17113663) has the molecular formula C17H16Br2N2O3S and a molecular weight of 488.20 g/mol. Its IUPAC name is 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
PubChem CID17113663
Molecular FormulaC17H16Br2N2O3S
Molecular Weight488.20 g/mol
Exact Mass485.92
IUPAC Name3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
SMILESCCc1ccc(O)c(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)c1
InChIInChI=1S/C17H16Br2N2O3S/c1-3-9-4-5-14(22)13(6-9)20-17(25)21-16(23)11-7-10(18)8-12(19)15(11)24-2/h4-8,22H,3H2,1-2H3,(H2,20,21,23,25)
InChIKeyAHPSWKDLIVYFGZ-UHFFFAOYSA-N
XLogP4.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.20
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide 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

3,5-dibromo-N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 17113668
3,5-dibromo-N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 26019751
3-bromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 2205920
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-iodobenzamide
CID 1344733
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099993
3,5-dibromo-N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 17314585
4-chloro-3-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 4506185
3,5-dibromo-N-[[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl]-2-methoxybenzamide
CID 3378043
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 23855649
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
methyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate
CID 22780655

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide (CID 17113663) is 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide is CCc1ccc(O)c(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)c1.
What is the InChIKey of 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
The InChIKey is AHPSWKDLIVYFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3S/c1-3-9-4-5-14(22)13(6-9)20-17(25)21-16(23)11-7-10(18)8-12(19)15(11)24-2/h4-8,22H,3H2,1-2H3,(H2,20,21,23,25).
What are the key properties of 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide has a molecular weight of 488.20 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide is sourced from PubChem (CID 17113663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).