2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide

C10H12BrNO2S — CID 82124453

IUPAC2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c1-10(2,3)12-9(14)8(13)6-4-5-7(11)15-6/h4-5H,1-3H3,(H,12,14)
InChIKeyCTEIOGJJUXXVRI-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.61
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide

2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide (PubChem CID 82124453) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide
PubChem CID82124453
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c1-10(2,3)12-9(14)8(13)6-4-5-7(11)15-6/h4-5H,1-3H3,(H,12,14)
InChIKeyCTEIOGJJUXXVRI-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 103895550
2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide
CID 82121850
1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one
CID 126985911
2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide
CID 82124082
(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide
CID 134968364
2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide
CID 153005615
1-(5-bromothiophen-2-yl)-2-(1,1-dihydroxyethylamino)propan-1-one
CID 140598923
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55209143
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide (CID 82124453) is 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide?
The InChIKey is CTEIOGJJUXXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-10(2,3)12-9(14)8(13)6-4-5-7(11)15-6/h4-5H,1-3H3,(H,12,14).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide?
2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide has a molecular weight of 290.18 g/mol, XLogP of 2.61, 2 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)-N-tert-butyl-2-oxoacetamide is sourced from PubChem (CID 82124453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).