N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide

C10H11Br2NO2S — CID 14552701

IUPACN-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)C(Br)Br
InChIInChI=1S/C10H11Br2NO2S/c1-10(2,7(14)8(11)12)13-9(15)6-4-3-5-16-6/h3-5,8H,1-2H3,(H,13,15)
InChIKeyHJIXOIPQVHBRLT-UHFFFAOYSA-N
MW369.08 g/mol
LogP2.94
Rot. Bonds4

About N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide

N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide (PubChem CID 14552701) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
PubChem CID14552701
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC NameN-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)C(Br)Br
InChIInChI=1S/C10H11Br2NO2S/c1-10(2,7(14)8(11)12)13-9(15)6-4-3-5-16-6/h3-5,8H,1-2H3,(H,13,15)
InChIKeyHJIXOIPQVHBRLT-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide
CID 14552694
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 131908040
N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46998479
N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide
CID 96531023
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 110870459
N-[1-[(3-hydroxy-2-methylbutan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115884647
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-sulfanylthiophene-2-carboxamide
CID 87476143

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide (CID 14552701) is N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide is CC(C)(NC(=O)c1cccs1)C(=O)C(Br)Br.
What is the InChIKey of N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide?
The InChIKey is HJIXOIPQVHBRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2S/c1-10(2,7(14)8(11)12)13-9(15)6-4-3-5-16-6/h3-5,8H,1-2H3,(H,13,15).
What are the key properties of N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide?
N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide has a molecular weight of 369.08 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 14552701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).