5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide

C13H11BrN2O3S — CID 26662523

IUPAC5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H11BrN2O3S/c1-19-9-4-2-8(3-5-9)12(17)15-16-13(18)10-6-7-11(14)20-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyVMDYPAMUAHMDRT-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide

5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide (PubChem CID 26662523) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
PubChem CID26662523
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H11BrN2O3S/c1-19-9-4-2-8(3-5-9)12(17)15-16-13(18)10-6-7-11(14)20-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyVMDYPAMUAHMDRT-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)urea
CID 25226709
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491329
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132
5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 31728771
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
CID 30497119
N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 9090843
N-[(2S)-1-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 31728604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide (CID 26662523) is 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide?
The InChIKey is VMDYPAMUAHMDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c1-19-9-4-2-8(3-5-9)12(17)15-16-13(18)10-6-7-11(14)20-10/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide?
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide has a molecular weight of 355.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 26662523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).