2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

C22H28F3N3O3S — CID 55432689

IUPAC2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H28F3N3O3S/c1-5-28(6-2)32(30,31)18-13-11-17(12-14-18)15(3)26-16(4)21(29)27-20-10-8-7-9-19(20)22(23,24)25/h7-16,26H,5-6H2,1-4H3,(H,27,29)
InChIKeyWSWVBHMLUXZARD-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.41
Rot. Bonds9

About 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55432689) has the molecular formula C22H28F3N3O3S and a molecular weight of 471.55 g/mol. Its IUPAC name is 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID55432689
Molecular FormulaC22H28F3N3O3S
Molecular Weight471.55 g/mol
Exact Mass471.18
IUPAC Name2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H28F3N3O3S/c1-5-28(6-2)32(30,31)18-13-11-17(12-14-18)15(3)26-16(4)21(29)27-20-10-8-7-9-19(20)22(23,24)25/h7-16,26H,5-6H2,1-4H3,(H,27,29)
InChIKeyWSWVBHMLUXZARD-UHFFFAOYSA-N
XLogP4.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664
methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate
CID 8650979
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51243791
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397
2-[(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2841182
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393920
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2204915

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 55432689) is 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WSWVBHMLUXZARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O3S/c1-5-28(6-2)32(30,31)18-13-11-17(12-14-18)15(3)26-16(4)21(29)27-20-10-8-7-9-19(20)22(23,24)25/h7-16,26H,5-6H2,1-4H3,(H,27,29).
What are the key properties of 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 471.55 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55432689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).