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

C20H23F3N4O3S — CID 56513839

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C20H23F3N4O3S/c21-20(22,23)16-7-4-8-24-18(16)25-9-10-26-19(28)17(15-5-2-1-3-6-15)27-11-13-31(29,30)14-12-27/h1-8,17H,9-14H2,(H,24,25)(H,26,28)
InChIKeyFEZIFCUKEKYWFN-UHFFFAOYSA-N
MW456.49 g/mol
LogP2.10
Rot. Bonds7

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 56513839) has the molecular formula C20H23F3N4O3S and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID56513839
Molecular FormulaC20H23F3N4O3S
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C20H23F3N4O3S/c21-20(22,23)16-7-4-8-24-18(16)25-9-10-26-19(28)17(15-5-2-1-3-6-15)27-11-13-31(29,30)14-12-27/h1-8,17H,9-14H2,(H,24,25)(H,26,28)
InChIKeyFEZIFCUKEKYWFN-UHFFFAOYSA-N
XLogP2.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 56513839) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(NCCNc1ncccc1C(F)(F)F)C(c1ccccc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is FEZIFCUKEKYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3S/c21-20(22,23)16-7-4-8-24-18(16)25-9-10-26-19(28)17(15-5-2-1-3-6-15)27-11-13-31(29,30)14-12-27/h1-8,17H,9-14H2,(H,24,25)(H,26,28).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 456.49 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 56513839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).