6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide

C17H16N2O4S — CID 155244808

IUPAC6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3ccccc3O)oc2c1
InChIInChI=1S/C17H16N2O4S/c1-19(2)12-8-7-11-9-15(23-14(11)10-12)17(21)18-24(22)16-6-4-3-5-13(16)20/h3-10,20H,1-2H3,(H,18,21)
InChIKeyVMYFPZCCQZNSNX-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.66
Rot. Bonds4

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

6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 155244808) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
PubChem CID155244808
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3ccccc3O)oc2c1
InChIInChI=1S/C17H16N2O4S/c1-19(2)12-8-7-11-9-15(23-14(11)10-12)17(21)18-24(22)16-6-4-3-5-13(16)20/h3-10,20H,1-2H3,(H,18,21)
InChIKeyVMYFPZCCQZNSNX-UHFFFAOYSA-N
XLogP2.66
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155714245
6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
CID 155244705
6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide
CID 155714230
6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 170110624
6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide
CID 170109884
N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 170110737
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244834
5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244976
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018347
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide (CID 155244808) is 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)c3ccccc3O)oc2c1.
What is the InChIKey of 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is VMYFPZCCQZNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-19(2)12-8-7-11-9-15(23-14(11)10-12)17(21)18-24(22)16-6-4-3-5-13(16)20/h3-10,20H,1-2H3,(H,18,21).
What are the key properties of 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155244808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).