N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide

C13H11BrN2O2S — CID 920970

IUPACN'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1Br
InChIInChI=1S/C13H11BrN2O2S/c1-8-4-5-9(7-10(8)14)12(17)15-16-13(18)11-3-2-6-19-11/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyJLIOPMCWQYWETJ-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.89
Rot. Bonds2

About N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide

N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 920970) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
PubChem CID920970
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC NameN'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1Br
InChIInChI=1S/C13H11BrN2O2S/c1-8-4-5-9(7-10(8)14)12(17)15-16-13(18)11-3-2-6-19-11/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyJLIOPMCWQYWETJ-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9085464
N'-(4-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3316001
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
[(Z)-1-thiophen-2-ylethylideneamino] 3-bromo-4-methylbenzoate
CID 6233145
N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 9479279
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide (CID 920970) is N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1Br.
What is the InChIKey of N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is JLIOPMCWQYWETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-8-4-5-9(7-10(8)14)12(17)15-16-13(18)11-3-2-6-19-11/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide?
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 339.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 920970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).