2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide

C24H24FN3O4S — CID 56505728

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C24H24FN3O4S/c25-20-7-4-8-21(15-20)32-22-10-9-18(16-26-22)17-27-24(29)23(19-5-2-1-3-6-19)28-11-13-33(30,31)14-12-28/h1-10,15-16,23H,11-14,17H2,(H,27,29)
InChIKeyWUSDGAGACORNKM-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.10
Rot. Bonds7

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide (PubChem CID 56505728) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide
PubChem CID56505728
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C24H24FN3O4S/c25-20-7-4-8-21(15-20)32-22-10-9-18(16-26-22)17-27-24(29)23(19-5-2-1-3-6-19)28-11-13-33(30,31)14-12-28/h1-10,15-16,23H,11-14,17H2,(H,27,29)
InChIKeyWUSDGAGACORNKM-UHFFFAOYSA-N
XLogP3.10
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505727
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56539953
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-phenylacetamide
CID 56573315
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide
CID 56513025
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylacetamide
CID 56513855
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide (CID 56505728) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide is O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(c1ccccc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide?
The InChIKey is WUSDGAGACORNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c25-20-7-4-8-21(15-20)32-22-10-9-18(16-26-22)17-27-24(29)23(19-5-2-1-3-6-19)28-11-13-33(30,31)14-12-28/h1-10,15-16,23H,11-14,17H2,(H,27,29).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide has a molecular weight of 469.54 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 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)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 56505728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).