N-[(5-bromothiophen-2-yl)methyl]acetamide

C7H8BrNOS — CID 47024728

IUPACN-[(5-bromothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c1-5(10)9-4-6-2-3-7(8)11-6/h2-3H,4H2,1H3,(H,9,10)
InChIKeyDACHBUGAIASQSE-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.15
Rot. Bonds2

About N-[(5-bromothiophen-2-yl)methyl]acetamide

N-[(5-bromothiophen-2-yl)methyl]acetamide (PubChem CID 47024728) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]acetamide
PubChem CID47024728
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c1-5(10)9-4-6-2-3-7(8)11-6/h2-3H,4H2,1H3,(H,9,10)
InChIKeyDACHBUGAIASQSE-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]acetamide (CID 47024728) is N-[(5-bromothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]acetamide is CC(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]acetamide?
The InChIKey is DACHBUGAIASQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-5(10)9-4-6-2-3-7(8)11-6/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]acetamide?
N-[(5-bromothiophen-2-yl)methyl]acetamide has a molecular weight of 234.12 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 47024728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).