N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide

C14H14BrNOS — CID 107233866

IUPACN-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1ccc(CBr)cc1
InChIInChI=1S/C14H14BrNOS/c15-8-11-1-3-12(4-2-11)9-16-14(17)7-13-5-6-18-10-13/h1-6,10H,7-9H2,(H,16,17)
InChIKeyZKJJFRZQTOOOSB-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.50
Rot. Bonds5

About N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide

N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 107233866) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
PubChem CID107233866
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1ccc(CBr)cc1
InChIInChI=1S/C14H14BrNOS/c15-8-11-1-3-12(4-2-11)9-16-14(17)7-13-5-6-18-10-13/h1-6,10H,7-9H2,(H,16,17)
InChIKeyZKJJFRZQTOOOSB-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
N-(6-bromohexyl)-2-thiophen-3-ylacetamide
CID 107847604
2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 63613033
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 43548608
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide
CID 106158024

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide (CID 107233866) is N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCc1ccc(CBr)cc1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is ZKJJFRZQTOOOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-8-11-1-3-12(4-2-11)9-16-14(17)7-13-5-6-18-10-13/h1-6,10H,7-9H2,(H,16,17).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide?
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 324.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 107233866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).