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

C20H19NO5S — CID 26736329

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H19NO5S/c1-2-25-18-11-7-6-10-17(18)21-20(22)19-13-12-15(26-19)14-27(23,24)16-8-4-3-5-9-16/h3-13H,2,14H2,1H3,(H,21,22)
InChIKeyLORBLHKXPKBQTG-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.90
Rot. Bonds7

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

5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide (PubChem CID 26736329) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
PubChem CID26736329
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H19NO5S/c1-2-25-18-11-7-6-10-17(18)21-20(22)19-13-12-15(26-19)14-27(23,24)16-8-4-3-5-9-16/h3-13H,2,14H2,1H3,(H,21,22)
InChIKeyLORBLHKXPKBQTG-UHFFFAOYSA-N
XLogP3.90
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide (CID 26736329) is 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide is CCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is LORBLHKXPKBQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-2-25-18-11-7-6-10-17(18)21-20(22)19-13-12-15(26-19)14-27(23,24)16-8-4-3-5-9-16/h3-13H,2,14H2,1H3,(H,21,22).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.90, 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-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 26736329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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