2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide

C9H8BrNO2S — CID 82124082

IUPAC2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNO2S/c1-2-5-11-9(13)8(12)6-3-4-7(10)14-6/h2-4H,1,5H2,(H,11,13)
InChIKeyBSJZMJBOBBFNFX-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.00
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide

2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide (PubChem CID 82124082) has the molecular formula C9H8BrNO2S and a molecular weight of 274.14 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide
PubChem CID82124082
Molecular FormulaC9H8BrNO2S
Molecular Weight274.14 g/mol
Exact Mass272.95
IUPAC Name2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNO2S/c1-2-5-11-9(13)8(12)6-3-4-7(10)14-6/h2-4H,1,5H2,(H,11,13)
InChIKeyBSJZMJBOBBFNFX-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide (CID 82124082) is 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide is C=CCNC(=O)C(=O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide?
The InChIKey is BSJZMJBOBBFNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2S/c1-2-5-11-9(13)8(12)6-3-4-7(10)14-6/h2-4H,1,5H2,(H,11,13).
What are the key properties of 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide?
2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide has a molecular weight of 274.14 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide is sourced from PubChem (CID 82124082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).