5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide

C9H11BrN2O3S — CID 47266709

IUPAC5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCONC(=O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrN2O3S/c1-2-15-12-8(13)5-11-9(14)6-3-4-7(10)16-6/h3-4H,2,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyBFCURZAHJJOXMV-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.31
Rot. Bonds5

About 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 47266709) has the molecular formula C9H11BrN2O3S and a molecular weight of 307.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID47266709
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCONC(=O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrN2O3S/c1-2-15-12-8(13)5-11-9(14)6-3-4-7(10)16-6/h3-4H,2,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyBFCURZAHJJOXMV-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.31
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

ethyl 3-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 49493293
methyl (2S)-2-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 47337781
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55835199
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
5-bromo-N-[2-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821565
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688
5-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47051859
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47265799
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide (CID 47266709) is 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide is CCONC(=O)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BFCURZAHJJOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c1-2-15-12-8(13)5-11-9(14)6-3-4-7(10)16-6/h3-4H,2,5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 307.17 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47266709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).