4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide

C8H10BrNO2S — CID 2225534

IUPAC4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO2S/c1-12-3-2-10-8(11)7-4-6(9)5-13-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyUEGKPDPZRRODGF-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.89
Rot. Bonds4

About 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide

4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 2225534) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID2225534
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO2S/c1-12-3-2-10-8(11)7-4-6(9)5-13-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyUEGKPDPZRRODGF-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 2225534) is 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCNC(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is UEGKPDPZRRODGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-12-3-2-10-8(11)7-4-6(9)5-13-7/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide?
4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 264.14 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 2225534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).