5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide

C17H23BrN2O3S — CID 17357536

IUPAC5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C17H23BrN2O3S/c1-22-9-10-23-15-8-7-12(18)11-14(15)16(21)20-17(24)19-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H2,19,20,21,24)
InChIKeyQMHIPJHIQBSWDP-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.41
Rot. Bonds6

About 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide

5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide (PubChem CID 17357536) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
PubChem CID17357536
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C17H23BrN2O3S/c1-22-9-10-23-15-8-7-12(18)11-14(15)16(21)20-17(24)19-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H2,19,20,21,24)
InChIKeyQMHIPJHIQBSWDP-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 17352057
5-bromo-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350455
5-bromo-2-butoxy-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17170763
5-bromo-2-(2-methoxyethoxy)-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 17357529
5-bromo-N-[(3-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17252486
5-bromo-2-(2-methoxyethoxy)-N-[(4-methylphenyl)carbamothioyl]benzamide
CID 17357499
5-bromo-N-[(4-hydroxyphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357450
5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 28587949
5-bromo-2-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230582
5-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357698
N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
CID 17123003
5-bromo-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357717

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
The IUPAC name of 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide (CID 17357536) is 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide is COCCOc1ccc(Br)cc1C(=O)NC(=S)NC1CCCCC1.
What is the InChIKey of 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
The InChIKey is QMHIPJHIQBSWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c1-22-9-10-23-15-8-7-12(18)11-14(15)16(21)20-17(24)19-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H2,19,20,21,24).
What are the key properties of 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide has a molecular weight of 415.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17357536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).