5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide

C15H15BrN2O4S — CID 31728509

IUPAC5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(Br)s2)ccc1OC
InChIInChI=1S/C15H15BrN2O4S/c1-3-22-11-8-9(4-5-10(11)21-2)14(19)17-18-15(20)12-6-7-13(16)23-12/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAADWXRICYKLXKP-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.99
Rot. Bonds5

About 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide

5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide (PubChem CID 31728509) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
PubChem CID31728509
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(Br)s2)ccc1OC
InChIInChI=1S/C15H15BrN2O4S/c1-3-22-11-8-9(4-5-10(11)21-2)14(19)17-18-15(20)12-6-7-13(16)23-12/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAADWXRICYKLXKP-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

5-bromo-N-[2-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821565
5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 31728771
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
CID 30497119
N-[(2S)-1-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 31728604
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide (CID 31728509) is 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccc(Br)s2)ccc1OC.
What is the InChIKey of 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide?
The InChIKey is AADWXRICYKLXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-3-22-11-8-9(4-5-10(11)21-2)14(19)17-18-15(20)12-6-7-13(16)23-12/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide?
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide has a molecular weight of 399.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 31728509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).