6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide

C20H17N3O3S — CID 155714230

IUPAC6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3cccc4cccnc34)oc2c1
InChIInChI=1S/C20H17N3O3S/c1-23(2)15-9-8-14-11-17(26-16(14)12-15)20(24)22-27(25)18-7-3-5-13-6-4-10-21-19(13)18/h3-12H,1-2H3,(H,22,24)
InChIKeyHKHVXCYNRKYNCF-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.50
Rot. Bonds4

About 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide (PubChem CID 155714230) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide
PubChem CID155714230
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3cccc4cccnc34)oc2c1
InChIInChI=1S/C20H17N3O3S/c1-23(2)15-9-8-14-11-17(26-16(14)12-15)20(24)22-27(25)18-7-3-5-13-6-4-10-21-19(13)18/h3-12H,1-2H3,(H,22,24)
InChIKeyHKHVXCYNRKYNCF-UHFFFAOYSA-N
XLogP3.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244808
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
N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244834
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one
CID 58667740
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376
6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018347
8-methylsulfinylquinoline;hydrate
CID 143541926
N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide
CID 59980820
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide (CID 155714230) is 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)c3cccc4cccnc34)oc2c1.
What is the InChIKey of 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is HKHVXCYNRKYNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-23(2)15-9-8-14-11-17(26-16(14)12-15)20(24)22-27(25)18-7-3-5-13-6-4-10-21-19(13)18/h3-12H,1-2H3,(H,22,24).
What are the key properties of 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155714230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).