N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide

C12H16BrNOS — CID 106366410

IUPACN-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCC1CBr
InChIInChI=1S/C12H16BrNOS/c13-7-10-2-1-3-11(10)14-12(15)6-9-4-5-16-8-9/h4-5,8,10-11H,1-3,6-7H2,(H,14,15)
InChIKeyMHBMPVSVFZDBFS-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide

N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide (PubChem CID 106366410) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
PubChem CID106366410
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCC1CBr
InChIInChI=1S/C12H16BrNOS/c13-7-10-2-1-3-11(10)14-12(15)6-9-4-5-16-8-9/h4-5,8,10-11H,1-3,6-7H2,(H,14,15)
InChIKeyMHBMPVSVFZDBFS-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-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-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 103774160
N-[2-(chloromethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106365962
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
CID 106367187
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
CID 106367286
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
dicyclohexylazanium;2-thiophen-3-ylacetate
CID 139058148
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide (CID 106366410) is N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
The InChIKey is MHBMPVSVFZDBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-7-10-2-1-3-11(10)14-12(15)6-9-4-5-16-8-9/h4-5,8,10-11H,1-3,6-7H2,(H,14,15).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide has a molecular weight of 302.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 106366410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).