methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate

C13H15NO3S — CID 71969723

IUPACmethyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)CC2C=CCC2)c1
InChIInChI=1S/C13H15NO3S/c1-17-13(16)10-7-12(18-8-10)14-11(15)6-9-4-2-3-5-9/h2,4,7-9H,3,5-6H2,1H3,(H,14,15)
InChIKeyVLIFQOJTHVQNNL-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.83
Rot. Bonds4

About methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate

methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 71969723) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID71969723
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Namemethyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)CC2C=CCC2)c1
InChIInChI=1S/C13H15NO3S/c1-17-13(16)10-7-12(18-8-10)14-11(15)6-9-4-2-3-5-9/h2,4,7-9H,3,5-6H2,1H3,(H,14,15)
InChIKeyVLIFQOJTHVQNNL-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate 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

methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate
CID 114916266
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 47113764
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
methyl 3-[[2-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 9065797
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534279
4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9203613
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 51200440
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
CID 51642056

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate (CID 71969723) is methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate is COC(=O)c1csc(NC(=O)CC2C=CCC2)c1.
What is the InChIKey of methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is VLIFQOJTHVQNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-17-13(16)10-7-12(18-8-10)14-11(15)6-9-4-2-3-5-9/h2,4,7-9H,3,5-6H2,1H3,(H,14,15).
What are the key properties of methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate?
methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 71969723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).