2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine

C20H24N2O4S — CID 2442378

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine
SMILESCC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cn3)c2O1
InChIInChI=1S/C20H24N2O4S/c1-20(2)13-15-7-6-8-17(19(15)26-20)25-18-10-9-16(14-21-18)27(23,24)22-11-4-3-5-12-22/h6-10,14H,3-5,11-13H2,1-2H3
InChIKeyDUBFQXZKQMVVQF-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine (PubChem CID 2442378) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine
PubChem CID2442378
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine
SMILESCC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cn3)c2O1
InChIInChI=1S/C20H24N2O4S/c1-20(2)13-15-7-6-8-17(19(15)26-20)25-18-10-9-16(14-21-18)27(23,24)22-11-4-3-5-12-22/h6-10,14H,3-5,11-13H2,1-2H3
InChIKeyDUBFQXZKQMVVQF-UHFFFAOYSA-N
XLogP3.76
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine 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 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine (CID 2442378) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine is CC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cn3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine?
The InChIKey is DUBFQXZKQMVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(2)13-15-7-6-8-17(19(15)26-20)25-18-10-9-16(14-21-18)27(23,24)22-11-4-3-5-12-22/h6-10,14H,3-5,11-13H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine has a molecular weight of 388.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-piperidin-1-ylsulfonylpyridine is sourced from PubChem (CID 2442378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).