5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide

C10H11BrN2O2S — CID 17094573

IUPAC5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide
SMILESCNC(=S)NC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H11BrN2O2S/c1-12-10(16)13-9(14)7-5-6(11)3-4-8(7)15-2/h3-5H,1-2H3,(H2,12,13,14,16)
InChIKeyJCEZLOKVYWHCMZ-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.69
Rot. Bonds2

About 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide

5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide (PubChem CID 17094573) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide
PubChem CID17094573
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide
SMILESCNC(=S)NC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H11BrN2O2S/c1-12-10(16)13-9(14)7-5-6(11)3-4-8(7)15-2/h3-5H,1-2H3,(H2,12,13,14,16)
InChIKeyJCEZLOKVYWHCMZ-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-N-(propan-2-ylcarbamothioyl)benzamide
CID 17094512
5-bromo-N-(methylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17051257
5-bromo-N-[(2-bromophenyl)carbamothioyl]-2-methoxybenzamide
CID 17094507
5-bromo-2-methoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1018546
N-[(4-benzamidophenyl)carbamothioyl]-5-bromo-2-methoxybenzamide
CID 17235775
5-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-methoxybenzamide
CID 17141042
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 1326744
4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3-methylbenzoic acid
CID 28687751
5-bromo-2-methoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide
CID 17094632
2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-5-chlorobenzoic acid
CID 1304122
5-bromo-2-methoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17094619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide (CID 17094573) is 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide is CNC(=S)NC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide?
The InChIKey is JCEZLOKVYWHCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-12-10(16)13-9(14)7-5-6(11)3-4-8(7)15-2/h3-5H,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide?
5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide has a molecular weight of 303.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide is sourced from PubChem (CID 17094573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).