5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C10H13BrN2O2S — CID 79926896

IUPAC5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H13BrN2O2S/c1-5-4-7(16-8(5)11)10(15)13-6(2)9(14)12-3/h4,6H,1-3H3,(H,12,14)(H,13,15)
InChIKeyZWXSLEGUHFJKBS-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.68
Rot. Bonds3

About 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 79926896) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID79926896
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H13BrN2O2S/c1-5-4-7(16-8(5)11)10(15)13-6(2)9(14)12-3/h4,6H,1-3H3,(H,12,14)(H,13,15)
InChIKeyZWXSLEGUHFJKBS-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79997188
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CID 112697589
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 79964792
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
CID 82939691
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 79998731
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 79926896) is 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is CNC(=O)C(C)NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ZWXSLEGUHFJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-5-4-7(16-8(5)11)10(15)13-6(2)9(14)12-3/h4,6H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 305.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 79926896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).