N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide

C9H11BrN2O2S — CID 61219456

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
SMILESCC(C)(NC(=O)c1csc(Br)c1)C(N)=O
InChIInChI=1S/C9H11BrN2O2S/c1-9(2,8(11)14)12-7(13)5-3-6(10)15-4-5/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyJDXLUVGKXWVTRQ-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.50
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide (PubChem CID 61219456) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
PubChem CID61219456
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
SMILESCC(C)(NC(=O)c1csc(Br)c1)C(N)=O
InChIInChI=1S/C9H11BrN2O2S/c1-9(2,8(11)14)12-7(13)5-3-6(10)15-4-5/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyJDXLUVGKXWVTRQ-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 115884352
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5-bromo-N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]thiophene-3-carboxamide
CID 114021716
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
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N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
CID 55137937
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
CID 107965115
1-[(5-bromothiophene-3-carbonyl)amino]-3-methylurea
CID 86835866
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
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CID 78965929

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide (CID 61219456) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide is CC(C)(NC(=O)c1csc(Br)c1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide?
The InChIKey is JDXLUVGKXWVTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-9(2,8(11)14)12-7(13)5-3-6(10)15-4-5/h3-4H,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide has a molecular weight of 291.17 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 61219456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).