2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide

C22H23F2N3O3S2 — CID 51345581

IUPAC2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)cc(C)c2c1
InChIInChI=1S/C22H23F2N3O3S2/c1-4-27(5-2)32(29,30)16-7-9-19-17(12-16)14(3)10-22(26-19)31-13-21(28)25-20-8-6-15(23)11-18(20)24/h6-12H,4-5,13H2,1-3H3,(H,25,28)
InChIKeyCNSQMSCRQYLFNH-UHFFFAOYSA-N
MW479.57 g/mol
LogP4.58
Rot. Bonds8

About 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide

2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide (PubChem CID 51345581) has the molecular formula C22H23F2N3O3S2 and a molecular weight of 479.57 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
PubChem CID51345581
Molecular FormulaC22H23F2N3O3S2
Molecular Weight479.57 g/mol
Exact Mass479.11
IUPAC Name2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)cc(C)c2c1
InChIInChI=1S/C22H23F2N3O3S2/c1-4-27(5-2)32(29,30)16-7-9-19-17(12-16)14(3)10-22(26-19)31-13-21(28)25-20-8-6-15(23)11-18(20)24/h6-12H,4-5,13H2,1-3H3,(H,25,28)
InChIKeyCNSQMSCRQYLFNH-UHFFFAOYSA-N
XLogP4.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 46367273
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367154
N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373387
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2373388
N-(4-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552949
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
CID 5134545
N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 19798448
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 26423929
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367192

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide (CID 51345581) is 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)cc(C)c2c1.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
The InChIKey is CNSQMSCRQYLFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3S2/c1-4-27(5-2)32(29,30)16-7-9-19-17(12-16)14(3)10-22(26-19)31-13-21(28)25-20-8-6-15(23)11-18(20)24/h6-12H,4-5,13H2,1-3H3,(H,25,28).
What are the key properties of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide has a molecular weight of 479.57 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 51345581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).