5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C17H18BrN3O5S — CID 55835199

IUPAC5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C17H18BrN3O5S/c1-2-25-11-5-3-4-6-12(11)26-10-16(23)21-20-15(22)9-19-17(24)13-7-8-14(18)27-13/h3-8H,2,9-10H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyQHIANBLEACZTEI-UHFFFAOYSA-N
MW456.32 g/mol
LogP1.87
Rot. Bonds8

About 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55835199) has the molecular formula C17H18BrN3O5S and a molecular weight of 456.32 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55835199
Molecular FormulaC17H18BrN3O5S
Molecular Weight456.32 g/mol
Exact Mass455.02
IUPAC Name5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C17H18BrN3O5S/c1-2-25-11-5-3-4-6-12(11)26-10-16(23)21-20-15(22)9-19-17(24)13-7-8-14(18)27-13/h3-8H,2,9-10H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyQHIANBLEACZTEI-UHFFFAOYSA-N
XLogP1.87
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709
(E)-3-(5-bromothiophen-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]prop-2-enehydrazide
CID 55333982
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
5-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 26851346
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440
5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18159243
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 55835199) is 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is CCOc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is QHIANBLEACZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O5S/c1-2-25-11-5-3-4-6-12(11)26-10-16(23)21-20-15(22)9-19-17(24)13-7-8-14(18)27-13/h3-8H,2,9-10H2,1H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 456.32 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55835199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).