2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate

C20H24F2N2O5S — CID 97254165

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
SMILESCN(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H24F2N2O5S/c1-23(2)19(18-16(21)6-5-7-17(18)22)20(25)29-13-12-28-14-8-10-15(11-9-14)30(26,27)24(3)4/h5-11,19H,12-13H2,1-4H3/t19-/m0/s1
InChIKeyYCZYVIYQTAMXAW-IBGZPJMESA-N
MW442.48 g/mol
LogP2.44
Rot. Bonds9

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate (PubChem CID 97254165) has the molecular formula C20H24F2N2O5S and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
PubChem CID97254165
Molecular FormulaC20H24F2N2O5S
Molecular Weight442.48 g/mol
Exact Mass442.14
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
SMILESCN(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H24F2N2O5S/c1-23(2)19(18-16(21)6-5-7-17(18)22)20(25)29-13-12-28-14-8-10-15(11-9-14)30(26,27)24(3)4/h5-11,19H,12-13H2,1-4H3/t19-/m0/s1
InChIKeyYCZYVIYQTAMXAW-IBGZPJMESA-N
XLogP2.44
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
CID 9381384
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-bromo-2-fluorobenzoate
CID 33077530
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-amino-4-fluorobenzoate
CID 25486421
2-(4-methoxyphenoxy)ethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976122
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-ethoxyphenyl)acetamide
CID 97101214
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-bromo-1H-indole-2-carboxylate
CID 55703916
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate (CID 97254165) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate is CN(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1c(F)cccc1F.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
The InChIKey is YCZYVIYQTAMXAW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24F2N2O5S/c1-23(2)19(18-16(21)6-5-7-17(18)22)20(25)29-13-12-28-14-8-10-15(11-9-14)30(26,27)24(3)4/h5-11,19H,12-13H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate has a molecular weight of 442.48 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate is sourced from PubChem (CID 97254165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).