6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide

C24H22FN3O4S — CID 166595955

IUPAC6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cccc(S(=O)(=O)NC(=O)c3cc4c(F)cc(N5CCC5(C)C)cc4o3)c2n1
InChIInChI=1S/C24H22FN3O4S/c1-14-7-8-15-5-4-6-21(22(15)26-14)33(30,31)27-23(29)20-13-17-18(25)11-16(12-19(17)32-20)28-10-9-24(28,2)3/h4-8,11-13H,9-10H2,1-3H3,(H,27,29)
InChIKeyHKOKNGITSHAICF-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.54
Rot. Bonds4

About 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide

6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 166595955) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID166595955
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cccc(S(=O)(=O)NC(=O)c3cc4c(F)cc(N5CCC5(C)C)cc4o3)c2n1
InChIInChI=1S/C24H22FN3O4S/c1-14-7-8-15-5-4-6-21(22(15)26-14)33(30,31)27-23(29)20-13-17-18(25)11-16(12-19(17)32-20)28-10-9-24(28,2)3/h4-8,11-13H,9-10H2,1-3H3,(H,27,29)
InChIKeyHKOKNGITSHAICF-UHFFFAOYSA-N
XLogP4.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-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-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide (CID 166595955) is 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide is Cc1ccc2cccc(S(=O)(=O)NC(=O)c3cc4c(F)cc(N5CCC5(C)C)cc4o3)c2n1.
What is the InChIKey of 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is HKOKNGITSHAICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-14-7-8-15-5-4-6-21(22(15)26-14)33(30,31)27-23(29)20-13-17-18(25)11-16(12-19(17)32-20)28-10-9-24(28,2)3/h4-8,11-13H,9-10H2,1-3H3,(H,27,29).
What are the key properties of 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide?
6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylazetidin-1-yl)-4-fluoro-N-(2-methylquinolin-8-yl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).