6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide

C20H17F2NO5S — CID 166595939

IUPAC6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(F)cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C20H17F2NO5S/c1-2-27-16-6-5-13(21)9-19(16)29(25,26)23-20(24)18-10-14-15(22)7-12(11-3-4-11)8-17(14)28-18/h5-11H,2-4H2,1H3,(H,23,24)
InChIKeyGSTBNZGWNGVUEW-UHFFFAOYSA-N
MW421.42 g/mol
LogP4.11
Rot. Bonds6

About 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide

6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide (PubChem CID 166595939) has the molecular formula C20H17F2NO5S and a molecular weight of 421.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
PubChem CID166595939
Molecular FormulaC20H17F2NO5S
Molecular Weight421.42 g/mol
Exact Mass421.08
IUPAC Name6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(F)cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C20H17F2NO5S/c1-2-27-16-6-5-13(21)9-19(16)29(25,26)23-20(24)18-10-14-15(22)7-12(11-3-4-11)8-17(14)28-18/h5-11H,2-4H2,1H3,(H,23,24)
InChIKeyGSTBNZGWNGVUEW-UHFFFAOYSA-N
XLogP4.11
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide (CID 166595939) is 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide is CCOc1ccc(F)cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1.
What is the InChIKey of 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is GSTBNZGWNGVUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO5S/c1-2-27-16-6-5-13(21)9-19(16)29(25,26)23-20(24)18-10-14-15(22)7-12(11-3-4-11)8-17(14)28-18/h5-11H,2-4H2,1H3,(H,23,24).
What are the key properties of 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-ethoxy-5-fluorophenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).