4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide

C11H13BrN2OS — CID 79208355

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccc(Br)s2)C1
InChIInChI=1S/C11H13BrN2OS/c12-10-4-3-9(16-10)6-14-11(15)7-1-2-8(13)5-7/h1-4,7-8H,5-6,13H2,(H,14,15)
InChIKeyBXBLWEYVIMRVNV-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.03
Rot. Bonds3

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79208355) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79208355
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccc(Br)s2)C1
InChIInChI=1S/C11H13BrN2OS/c12-10-4-3-9(16-10)6-14-11(15)7-1-2-8(13)5-7/h1-4,7-8H,5-6,13H2,(H,14,15)
InChIKeyBXBLWEYVIMRVNV-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
3-[(5-bromothiophen-2-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835040
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628561
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63714977
4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210828
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208078
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
CID 138041285
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide (CID 79208355) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCc2ccc(Br)s2)C1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is BXBLWEYVIMRVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c12-10-4-3-9(16-10)6-14-11(15)7-1-2-8(13)5-7/h1-4,7-8H,5-6,13H2,(H,14,15).
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 301.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).