N-(6-bromohexyl)-2-thiophen-3-ylacetamide

C12H18BrNOS — CID 107847604

IUPACN-(6-bromohexyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCCCCCCBr
InChIInChI=1S/C12H18BrNOS/c13-6-3-1-2-4-7-14-12(15)9-11-5-8-16-10-11/h5,8,10H,1-4,6-7,9H2,(H,14,15)
InChIKeyFJYJENJKQHPLDR-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.36
Rot. Bonds8

About N-(6-bromohexyl)-2-thiophen-3-ylacetamide

N-(6-bromohexyl)-2-thiophen-3-ylacetamide (PubChem CID 107847604) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-thiophen-3-ylacetamide
PubChem CID107847604
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-(6-bromohexyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCCCCCCBr
InChIInChI=1S/C12H18BrNOS/c13-6-3-1-2-4-7-14-12(15)9-11-5-8-16-10-11/h5,8,10H,1-4,6-7,9H2,(H,14,15)
InChIKeyFJYJENJKQHPLDR-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide
CID 106158024
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
CID 107847518
N-[(E)-pent-3-enyl]-2-thiophen-3-ylacetamide
CID 115628042
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984
3-(6-bromohexyl)thiophene
CID 11447992
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(6-bromohexyl)-2-thiophen-3-ylacetamide (CID 107847604) is N-(6-bromohexyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(6-bromohexyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(6-bromohexyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-2-thiophen-3-ylacetamide?
The InChIKey is FJYJENJKQHPLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-6-3-1-2-4-7-14-12(15)9-11-5-8-16-10-11/h5,8,10H,1-4,6-7,9H2,(H,14,15).
What are the key properties of N-(6-bromohexyl)-2-thiophen-3-ylacetamide?
N-(6-bromohexyl)-2-thiophen-3-ylacetamide has a molecular weight of 304.25 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 107847604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).