6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide

C16H20N2O4S — CID 170109884

IUPAC6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)C3CCOCC3)oc2c1
InChIInChI=1S/C16H20N2O4S/c1-18(2)12-4-3-11-9-15(22-14(11)10-12)16(19)17-23(20)13-5-7-21-8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,17,19)
InChIKeyGGBCJDOZLXNASY-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.07
Rot. Bonds4

About 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide (PubChem CID 170109884) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide
PubChem CID170109884
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)C3CCOCC3)oc2c1
InChIInChI=1S/C16H20N2O4S/c1-18(2)12-4-3-11-9-15(22-14(11)10-12)16(19)17-23(20)13-5-7-21-8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,17,19)
InChIKeyGGBCJDOZLXNASY-UHFFFAOYSA-N
XLogP2.07
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide (CID 170109884) is 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)C3CCOCC3)oc2c1.
What is the InChIKey of 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide?
The InChIKey is GGBCJDOZLXNASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-18(2)12-4-3-11-9-15(22-14(11)10-12)16(19)17-23(20)13-5-7-21-8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,17,19).
What are the key properties of 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 170109884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).