N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C19H19F3N2O4S — CID 86833830

IUPACN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)Nc1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)16-6-1-2-7-17(16)28-13-18(25)23-14-4-3-5-15(12-14)24-8-10-29(26,27)11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyXGAJSBIMBFRJBF-UHFFFAOYSA-N
MW428.43 g/mol
LogP2.96
Rot. Bonds5

About N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 86833830) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID86833830
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)Nc1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)16-6-1-2-7-17(16)28-13-18(25)23-14-4-3-5-15(12-14)24-8-10-29(26,27)11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyXGAJSBIMBFRJBF-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686572
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 7638794
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
N-(3-pyrazolidin-3-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 74622794
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39095289
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7638801
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686823
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86963463
2-(2-butan-2-ylphenoxy)-N-(3-morpholin-4-ylphenyl)acetamide
CID 55952307
2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
CID 119863655
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 86833830) is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccccc1C(F)(F)F)Nc1cccc(N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is XGAJSBIMBFRJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c20-19(21,22)16-6-1-2-7-17(16)28-13-18(25)23-14-4-3-5-15(12-14)24-8-10-29(26,27)11-9-24/h1-7,12H,8-11,13H2,(H,23,25).
What are the key properties of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 428.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 86833830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).