N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide

C14H14BrNO2S — CID 20885194

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cc1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-18-13-5-4-11(15)7-10(13)9-16-14(17)8-12-3-2-6-19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyIHLKRVWMIRLFSW-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.38
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 20885194) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID20885194
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cc1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-18-13-5-4-11(15)7-10(13)9-16-14(17)8-12-3-2-6-19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyIHLKRVWMIRLFSW-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (CID 20885194) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide is COc1ccc(Br)cc1CNC(=O)Cc1cccs1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is IHLKRVWMIRLFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-13-5-4-11(15)7-10(13)9-16-14(17)8-12-3-2-6-19-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 340.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 20885194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).