6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide

C20H18FNO4S — CID 167006960

IUPAC6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C20H18FNO4S/c1-2-25-16-5-3-4-6-19(16)27(24)22-20(23)18-11-14-15(21)9-13(12-7-8-12)10-17(14)26-18/h3-6,9-12H,2,7-8H2,1H3,(H,22,23)
InChIKeyRZOBYBXDWMPMAG-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.30
Rot. Bonds6

About 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide

6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide (PubChem CID 167006960) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
PubChem CID167006960
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C20H18FNO4S/c1-2-25-16-5-3-4-6-19(16)27(24)22-20(23)18-11-14-15(21)9-13(12-7-8-12)10-17(14)26-18/h3-6,9-12H,2,7-8H2,1H3,(H,22,23)
InChIKeyRZOBYBXDWMPMAG-UHFFFAOYSA-N
XLogP4.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide (CID 167006960) is 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide is CCOc1ccccc1S(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1.
What is the InChIKey of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is RZOBYBXDWMPMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-2-25-16-5-3-4-6-19(16)27(24)22-20(23)18-11-14-15(21)9-13(12-7-8-12)10-17(14)26-18/h3-6,9-12H,2,7-8H2,1H3,(H,22,23).
What are the key properties of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide?
6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167006960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).