3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide

C22H27F3N2O4S — CID 60575015

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1
InChIInChI=1S/C22H27F3N2O4S/c1-4-27(5-2)32(29,30)18-10-7-17(8-11-18)9-13-21(28)26-19-12-6-16(3)14-20(19)31-15-22(23,24)25/h6-8,10-12,14H,4-5,9,13,15H2,1-3H3,(H,26,28)
InChIKeyAKACQDGMCVQFNL-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.54
Rot. Bonds10

About 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 60575015) has the molecular formula C22H27F3N2O4S and a molecular weight of 472.53 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID60575015
Molecular FormulaC22H27F3N2O4S
Molecular Weight472.53 g/mol
Exact Mass472.16
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1
InChIInChI=1S/C22H27F3N2O4S/c1-4-27(5-2)32(29,30)18-10-7-17(8-11-18)9-13-21(28)26-19-12-6-16(3)14-20(19)31-15-22(23,24)25/h6-8,10-12,14H,4-5,9,13,15H2,1-3H3,(H,26,28)
InChIKeyAKACQDGMCVQFNL-UHFFFAOYSA-N
XLogP4.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785408
4-[3-(2-ethoxy-4-methylanilino)-3-oxopropyl]benzoic acid
CID 119181144
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60575252
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7929037
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 60575015) is 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is AKACQDGMCVQFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O4S/c1-4-27(5-2)32(29,30)18-10-7-17(8-11-18)9-13-21(28)26-19-12-6-16(3)14-20(19)31-15-22(23,24)25/h6-8,10-12,14H,4-5,9,13,15H2,1-3H3,(H,26,28).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 472.53 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 60575015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).