4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

C14H19NO5S — CID 106168071

IUPAC4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCCC2=CCCC2)c1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-9-12(14(16)17)13(10(2)20-9)21(18,19)15-8-7-11-5-3-4-6-11/h5,15H,3-4,6-8H2,1-2H3,(H,16,17)
InChIKeyYZYJBBKAFRONBQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.37
Rot. Bonds6

About 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 106168071) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
PubChem CID106168071
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCCC2=CCCC2)c1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-9-12(14(16)17)13(10(2)20-9)21(18,19)15-8-7-11-5-3-4-6-11/h5,15H,3-4,6-8H2,1-2H3,(H,16,17)
InChIKeyYZYJBBKAFRONBQ-UHFFFAOYSA-N
XLogP2.37
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43546086
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
4-[(4-amino-4-oxobutyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 60864108
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
2,5-dimethyl-4-(pent-3-ynylsulfamoyl)furan-3-carboxylic acid
CID 116642733
N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914971
2,5-dimethyl-4-(pent-4-ynylsulfamoyl)furan-3-carboxylic acid
CID 106220027
4-bromo-3-[2-(cyclopenten-1-yl)ethylsulfamoyl]benzoic acid
CID 106168036
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
4-(2-but-3-enoxyethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 106395343
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
2,5-dimethyl-4-(3-propoxypropylsulfamoyl)furan-3-carboxylic acid
CID 82941535

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (CID 106168071) is 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NCCC2=CCCC2)c1C(=O)O.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is YZYJBBKAFRONBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-9-12(14(16)17)13(10(2)20-9)21(18,19)15-8-7-11-5-3-4-6-11/h5,15H,3-4,6-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 106168071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).