4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid

C15H13NO3S — CID 79209011

IUPAC4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1csc2ccccc12
InChIInChI=1S/C15H13NO3S/c17-14(16-10-6-5-9(7-10)15(18)19)12-8-20-13-4-2-1-3-11(12)13/h1-6,8-10H,7H2,(H,16,17)(H,18,19)
InChIKeyMOBGYRJPLNHOFD-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.66
Rot. Bonds3

About 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid

4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209011) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79209011
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1csc2ccccc12
InChIInChI=1S/C15H13NO3S/c17-14(16-10-6-5-9(7-10)15(18)19)12-8-20-13-4-2-1-3-11(12)13/h1-6,8-10H,7H2,(H,16,17)(H,18,19)
InChIKeyMOBGYRJPLNHOFD-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.66
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

cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320846
4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209654
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
4-[(5-bromothiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208530
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210197
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546
N-(2,5-dichloro-4-methylidenecyclohexyl)-1-benzothiophene-3-carboxamide
CID 90746524
4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208865
4-[(2,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114036961

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid (CID 79209011) is 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is MOBGYRJPLNHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-14(16-10-6-5-9(7-10)15(18)19)12-8-20-13-4-2-1-3-11(12)13/h1-6,8-10H,7H2,(H,16,17)(H,18,19).
What are the key properties of 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).