5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide

C10H14BrNO2S — CID 163703726

IUPAC5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCCc1cc(Br)sc1C(=O)NCCOC
InChIInChI=1S/C10H14BrNO2S/c1-3-7-6-8(11)15-9(7)10(13)12-4-5-14-2/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyKDFSXAWTGCNIIV-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.45
Rot. Bonds5

About 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide

5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 163703726) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID163703726
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCCc1cc(Br)sc1C(=O)NCCOC
InChIInChI=1S/C10H14BrNO2S/c1-3-7-6-8(11)15-9(7)10(13)12-4-5-14-2/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyKDFSXAWTGCNIIV-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
CID 51291707
3-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 115999730
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83038903
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea
CID 47216290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 163703726) is 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide is CCc1cc(Br)sc1C(=O)NCCOC.
What is the InChIKey of 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is KDFSXAWTGCNIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-7-6-8(11)15-9(7)10(13)12-4-5-14-2/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 163703726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).