5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide

C13H17BrN2O2S — CID 112697589

IUPAC5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)C(=O)N2CCCC2)sc1Br
InChIInChI=1S/C13H17BrN2O2S/c1-8-7-10(19-11(8)14)12(17)15-9(2)13(18)16-5-3-4-6-16/h7,9H,3-6H2,1-2H3,(H,15,17)
InChIKeyYLWQZXLSRSONJT-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.56
Rot. Bonds3

About 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 112697589) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide
PubChem CID112697589
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)C(=O)N2CCCC2)sc1Br
InChIInChI=1S/C13H17BrN2O2S/c1-8-7-10(19-11(8)14)12(17)15-9(2)13(18)16-5-3-4-6-16/h7,9H,3-6H2,1-2H3,(H,15,17)
InChIKeyYLWQZXLSRSONJT-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)thiophene-2-carboxamide
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N-(1-amino-1-hydroxyiminopropan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79997188
5-bromo-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
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5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 115683330
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
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
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
4-hydroxy-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103865363
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide (CID 112697589) is 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide is Cc1cc(C(=O)NC(C)C(=O)N2CCCC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is YLWQZXLSRSONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c1-8-7-10(19-11(8)14)12(17)15-9(2)13(18)16-5-3-4-6-16/h7,9H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 345.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 112697589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).