5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide

C15H17NO5S — CID 3239466

IUPAC5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C15H17NO5S/c1-20-10-9-16-15(17)14-8-7-12(21-14)11-22(18,19)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyWMLRMBIAJNBMBW-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.63
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 3239466) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID3239466
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C15H17NO5S/c1-20-10-9-16-15(17)14-8-7-12(21-14)11-22(18,19)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyWMLRMBIAJNBMBW-UHFFFAOYSA-N
XLogP1.63
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide (CID 3239466) is 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is WMLRMBIAJNBMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-20-10-9-16-15(17)14-8-7-12(21-14)11-22(18,19)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,16,17).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 3239466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).