N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide

C12H18BrNOS — CID 106158024

IUPACN-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide
SMILESCC(CBr)CCCNC(=O)Cc1ccsc1
InChIInChI=1S/C12H18BrNOS/c1-10(8-13)3-2-5-14-12(15)7-11-4-6-16-9-11/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,14,15)
InChIKeyCFFKCMAQQBEKMB-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.22
Rot. Bonds7

About N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide

N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide (PubChem CID 106158024) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide
PubChem CID106158024
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide
SMILESCC(CBr)CCCNC(=O)Cc1ccsc1
InChIInChI=1S/C12H18BrNOS/c1-10(8-13)3-2-5-14-12(15)7-11-4-6-16-9-11/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,14,15)
InChIKeyCFFKCMAQQBEKMB-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.22
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'}

Analyze N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-bromohexyl)-2-thiophen-3-ylacetamide
CID 107847604
N-(5-bromo-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 106157270
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984
4-methyl-5-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 82010120
N-[(E)-pent-3-enyl]-2-thiophen-3-ylacetamide
CID 115628042
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
CID 106157892
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide (CID 106158024) is N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide is CC(CBr)CCCNC(=O)Cc1ccsc1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide?
The InChIKey is CFFKCMAQQBEKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-10(8-13)3-2-5-14-12(15)7-11-4-6-16-9-11/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide?
N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide has a molecular weight of 304.25 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 106158024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).