N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide

C20H16F3N3O4S — CID 54519091

IUPACN-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide
SMILESO=C(COc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)Nc1ccncc1
InChIInChI=1S/C20H16F3N3O4S/c21-20(22,23)14-4-6-18(7-5-14)31(28,29)26-16-2-1-3-17(12-16)30-13-19(27)25-15-8-10-24-11-9-15/h1-12,26H,13H2,(H,24,25,27)
InChIKeyYOMNIQZSTSBLPM-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.92
Rot. Bonds7

About N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide

N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide (PubChem CID 54519091) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide
PubChem CID54519091
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC NameN-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide
SMILESO=C(COc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)Nc1ccncc1
InChIInChI=1S/C20H16F3N3O4S/c21-20(22,23)14-4-6-18(7-5-14)31(28,29)26-16-2-1-3-17(12-16)30-13-19(27)25-15-8-10-24-11-9-15/h1-12,26H,13H2,(H,24,25,27)
InChIKeyYOMNIQZSTSBLPM-UHFFFAOYSA-N
XLogP3.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
2-(3-chlorophenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638123
2-(2,4-dichlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881529
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
N-[3-(phenylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55524065
N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 100800861
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide (CID 54519091) is N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide is O=C(COc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)Nc1ccncc1.
What is the InChIKey of N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide?
The InChIKey is YOMNIQZSTSBLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c21-20(22,23)14-4-6-18(7-5-14)31(28,29)26-16-2-1-3-17(12-16)30-13-19(27)25-15-8-10-24-11-9-15/h1-12,26H,13H2,(H,24,25,27).
What are the key properties of N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide?
N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide has a molecular weight of 451.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 54519091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).