5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide

C10H12BrNO2S — CID 80712681

IUPAC5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCOC2)sc1Br
InChIInChI=1S/C10H12BrNO2S/c1-6-4-8(15-9(6)11)10(13)12-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,12,13)
InChIKeyFGLSOHPKUPQUIB-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.34
Rot. Bonds2

About 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide (PubChem CID 80712681) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
PubChem CID80712681
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCOC2)sc1Br
InChIInChI=1S/C10H12BrNO2S/c1-6-4-8(15-9(6)11)10(13)12-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,12,13)
InChIKeyFGLSOHPKUPQUIB-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
4-amino-5-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80717145
5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
CID 79998506
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
CID 107872966
5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 79964365
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(oxan-3-yl)thiophene-2-carboxamide
CID 79990009
5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
CID 79986516

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide (CID 80712681) is 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide is Cc1cc(C(=O)NC2CCOC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
The InChIKey is FGLSOHPKUPQUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-6-4-8(15-9(6)11)10(13)12-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.34, 2 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-(oxolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 80712681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).