4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide

C14H12Br2N2O2S — CID 18291485

IUPAC4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H12Br2N2O2S/c1-2-8-3-5-9(6-4-8)13(19)17-18-14(20)11-7-10(15)12(16)21-11/h3-7H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyHJUBXQWSYHLLML-UHFFFAOYSA-N
MW432.14 g/mol
LogP3.91
Rot. Bonds3

About 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide

4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 18291485) has the molecular formula C14H12Br2N2O2S and a molecular weight of 432.14 g/mol. Its IUPAC name is 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide
PubChem CID18291485
Molecular FormulaC14H12Br2N2O2S
Molecular Weight432.14 g/mol
Exact Mass429.90
IUPAC Name4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H12Br2N2O2S/c1-2-8-3-5-9(6-4-8)13(19)17-18-14(20)11-7-10(15)12(16)21-11/h3-7H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyHJUBXQWSYHLLML-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.14
LogP ≤ 53.91
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-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
4,5-dibromo-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 112725586
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 55857179
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 24516970
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide (CID 18291485) is 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is HJUBXQWSYHLLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2S/c1-2-8-3-5-9(6-4-8)13(19)17-18-14(20)11-7-10(15)12(16)21-11/h3-7H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide?
4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 432.14 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 18291485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).