5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide

C15H15BrN2O4S — CID 4788528

IUPAC5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C15H15BrN2O4S/c1-21-10-4-3-9(7-11(10)22-2)8-14(19)17-18-15(20)12-5-6-13(16)23-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUKCDHYWZTZGHMZ-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.53
Rot. Bonds5

About 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide

5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 4788528) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide
PubChem CID4788528
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C15H15BrN2O4S/c1-21-10-4-3-9(7-11(10)22-2)8-14(19)17-18-15(20)12-5-6-13(16)23-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUKCDHYWZTZGHMZ-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N'-(2-thienylacetyl)benzohydrazide
CID 748727
3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 2161657
N'-[3-(2-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4790874
N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4795171
N'-[2-(3,4,5-trimethoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 8083376
N'-[(E)-(4-bromothiophen-2-yl)methylidene]-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 9634241
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophenecarbohydrazide
CID 687575
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-thiophenecarbohydrazide
CID 809193
N'-[1-(5-bromo-2-thienyl)ethylidene]-1,3-benzodioxole-5-carbohydrazide
CID 5348234
N'-[(5-bromo-2-thienyl)methylene]-3,4,5-trimethoxybenzohydrazide
CID 9565002
N-[(Z)-1-(5-bromothiophen-2-yl)propylideneamino]-3,4-dimethoxybenzamide
CID 5433148
1-(4-Bromo-5-methyl-2-thienoyl)-2-(4-methoxybenzoyl)hydrazine
CID 12969335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide (CID 4788528) is 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccc(Br)s2)cc1OC.
What is the InChIKey of 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is UKCDHYWZTZGHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-21-10-4-3-9(7-11(10)22-2)8-14(19)17-18-15(20)12-5-6-13(16)23-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide?
5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 399.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4788528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).