5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide

C12H14BrNOS — CID 103842230

IUPAC5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H14BrNOS/c13-11-6-5-10(16-11)12(15)14-8-7-9-3-1-2-4-9/h3,5-6H,1-2,4,7-8H2,(H,14,15)
InChIKeyIVDFQYPOUYCFKB-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.74
Rot. Bonds4

About 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 103842230) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID103842230
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H14BrNOS/c13-11-6-5-10(16-11)12(15)14-8-7-9-3-1-2-4-9/h3,5-6H,1-2,4,7-8H2,(H,14,15)
InChIKeyIVDFQYPOUYCFKB-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842426
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
2-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 106173273
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
CID 113330021
N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 24720307
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
CID 126454615
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide (CID 103842230) is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCC1=CCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is IVDFQYPOUYCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c13-11-6-5-10(16-11)12(15)14-8-7-9-3-1-2-4-9/h3,5-6H,1-2,4,7-8H2,(H,14,15).
What are the key properties of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 300.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 103842230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).