N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

C20H23F3N2O3S — CID 32752664

IUPACN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-4-25(5-2)29(27,28)16-12-10-15(11-13-16)14(3)24-19(26)17-8-6-7-9-18(17)20(21,22)23/h6-14H,4-5H2,1-3H3,(H,24,26)/t14-/m0/s1
InChIKeyAOZYIKJAYLGHQC-AWEZNQCLSA-N
MW428.48 g/mol
LogP4.23
Rot. Bonds7

About N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 32752664) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID32752664
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-4-25(5-2)29(27,28)16-12-10-15(11-13-16)14(3)24-19(26)17-8-6-7-9-18(17)20(21,22)23/h6-14H,4-5H2,1-3H3,(H,24,26)/t14-/m0/s1
InChIKeyAOZYIKJAYLGHQC-AWEZNQCLSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55432689
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide
CID 42893558
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532925
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (CID 32752664) is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is AOZYIKJAYLGHQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-4-25(5-2)29(27,28)16-12-10-15(11-13-16)14(3)24-19(26)17-8-6-7-9-18(17)20(21,22)23/h6-14H,4-5H2,1-3H3,(H,24,26)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 428.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 32752664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).