2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide

C18H20F2N2O4S2 — CID 142401733

IUPAC2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cc(SCCN(C)S(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H20F2N2O4S2/c1-21-17(23)12-26-18-15(19)10-13(11-16(18)20)27-9-8-22(2)28(24,25)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)
InChIKeyLKKZTRWQXIEPIM-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.50
Rot. Bonds9

About 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide

2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide (PubChem CID 142401733) has the molecular formula C18H20F2N2O4S2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide
PubChem CID142401733
Molecular FormulaC18H20F2N2O4S2
Molecular Weight430.50 g/mol
Exact Mass430.08
IUPAC Name2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cc(SCCN(C)S(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H20F2N2O4S2/c1-21-17(23)12-26-18-15(19)10-13(11-16(18)20)27-9-8-22(2)28(24,25)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)
InChIKeyLKKZTRWQXIEPIM-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]methyl acetate
CID 151450795
2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide
CID 145228359
2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide
CID 155217672
3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106916938
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483045
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733
N-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]-2-methylpropanamide
CID 175016364
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
(E)-3-[3-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 112614281
3-[benzenesulfonyl(methoxy)amino]sulfanyl-N-methylbut-3-enamide
CID 123461040

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide (CID 142401733) is 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide is CNC(=O)COc1c(F)cc(SCCN(C)S(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide?
The InChIKey is LKKZTRWQXIEPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S2/c1-21-17(23)12-26-18-15(19)10-13(11-16(18)20)27-9-8-22(2)28(24,25)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide?
2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide has a molecular weight of 430.50 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide is sourced from PubChem (CID 142401733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).