N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide

C21H21FN2O4S — CID 170110737

IUPACN-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3c(F)cccc3OC3CCC3)oc2c1
InChIInChI=1S/C21H21FN2O4S/c1-24(2)14-10-9-13-11-19(28-18(13)12-14)21(25)23-29(26)20-16(22)7-4-8-17(20)27-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,25)
InChIKeyRFPZKSXGKQPXPE-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.02
Rot. Bonds6

About N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide

N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide (PubChem CID 170110737) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
PubChem CID170110737
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC NameN-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3c(F)cccc3OC3CCC3)oc2c1
InChIInChI=1S/C21H21FN2O4S/c1-24(2)14-10-9-13-11-19(28-18(13)12-14)21(25)23-29(26)20-16(22)7-4-8-17(20)27-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,25)
InChIKeyRFPZKSXGKQPXPE-UHFFFAOYSA-N
XLogP4.02
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-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 N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide (CID 170110737) is N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)c3c(F)cccc3OC3CCC3)oc2c1.
What is the InChIKey of N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The InChIKey is RFPZKSXGKQPXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-24(2)14-10-9-13-11-19(28-18(13)12-14)21(25)23-29(26)20-16(22)7-4-8-17(20)27-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 170110737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).