N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide

C22H20F3N3O3S — CID 17433764

IUPACN-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccncc1
InChIInChI=1S/C22H20F3N3O3S/c1-15(17-9-11-26-12-10-17)27-21(29)13-16-5-7-19(8-6-16)28-32(30,31)20-4-2-3-18(14-20)22(23,24)25/h2-12,14-15,28H,13H2,1H3,(H,27,29)
InChIKeyLWXZLEFWUULOJR-UHFFFAOYSA-N
MW463.48 g/mol
LogP4.32
Rot. Bonds7

About N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide

N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide (PubChem CID 17433764) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
PubChem CID17433764
Molecular FormulaC22H20F3N3O3S
Molecular Weight463.48 g/mol
Exact Mass463.12
IUPAC NameN-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccncc1
InChIInChI=1S/C22H20F3N3O3S/c1-15(17-9-11-26-12-10-17)27-21(29)13-16-5-7-19(8-6-16)28-32(30,31)20-4-2-3-18(14-20)22(23,24)25/h2-12,14-15,28H,13H2,1H3,(H,27,29)
InChIKeyLWXZLEFWUULOJR-UHFFFAOYSA-N
XLogP4.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
N-[(4-methoxyphenyl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 17474210
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 60535017
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 40636207
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide (CID 17433764) is N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide is CC(NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is LWXZLEFWUULOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c1-15(17-9-11-26-12-10-17)27-21(29)13-16-5-7-19(8-6-16)28-32(30,31)20-4-2-3-18(14-20)22(23,24)25/h2-12,14-15,28H,13H2,1H3,(H,27,29).
What are the key properties of N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 463.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 17433764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).