5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide

C11H14BrNO2S — CID 61019351

IUPAC5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCCOC1)c1csc(Br)c1
InChIInChI=1S/C11H14BrNO2S/c12-10-4-9(7-16-10)11(14)13-5-8-2-1-3-15-6-8/h4,7-8H,1-3,5-6H2,(H,13,14)
InChIKeyQZCNDABNEFIURU-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.67
Rot. Bonds3

About 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide

5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 61019351) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
PubChem CID61019351
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCCOC1)c1csc(Br)c1
InChIInChI=1S/C11H14BrNO2S/c12-10-4-9(7-16-10)11(14)13-5-8-2-1-3-15-6-8/h4,7-8H,1-3,5-6H2,(H,13,14)
InChIKeyQZCNDABNEFIURU-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
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CID 63525997
5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 61380978
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696975
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide (CID 61019351) is 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide is O=C(NCC1CCCOC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is QZCNDABNEFIURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-4-9(7-16-10)11(14)13-5-8-2-1-3-15-6-8/h4,7-8H,1-3,5-6H2,(H,13,14).
What are the key properties of 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide?
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 61019351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).