N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide

C19H22F2N2O3S2 — CID 26423929

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O3S2/c1-3-23(4-2)28(25,26)16-8-5-14(6-9-16)12-22-19(24)13-27-18-10-7-15(20)11-17(18)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyTVKKGBYWZSCUBE-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.40
Rot. Bonds9

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide (PubChem CID 26423929) has the molecular formula C19H22F2N2O3S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
PubChem CID26423929
Molecular FormulaC19H22F2N2O3S2
Molecular Weight428.53 g/mol
Exact Mass428.10
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O3S2/c1-3-23(4-2)28(25,26)16-8-5-14(6-9-16)12-22-19(24)13-27-18-10-7-15(20)11-17(18)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyTVKKGBYWZSCUBE-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-(4-acetamidophenyl)sulfanyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 17438919
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512419
2-[[5-[3-(diethylsulfamoyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 2080842
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46584438
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 31504901

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide (CID 26423929) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide?
The InChIKey is TVKKGBYWZSCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S2/c1-3-23(4-2)28(25,26)16-8-5-14(6-9-16)12-22-19(24)13-27-18-10-7-15(20)11-17(18)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide has a molecular weight of 428.53 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 26423929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).