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

C25H25FN2O4S — CID 56513025

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide
SMILESO=C(Nc1cccc(COc2cccc(F)c2)c1)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C25H25FN2O4S/c26-21-9-5-11-23(17-21)32-18-19-6-4-10-22(16-19)27-25(29)24(20-7-2-1-3-8-20)28-12-14-33(30,31)15-13-28/h1-11,16-17,24H,12-15,18H2,(H,27,29)
InChIKeyZOJQQMDOENUQOI-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.81
Rot. Bonds7

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide (PubChem CID 56513025) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide
PubChem CID56513025
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide
SMILESO=C(Nc1cccc(COc2cccc(F)c2)c1)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C25H25FN2O4S/c26-21-9-5-11-23(17-21)32-18-19-6-4-10-22(16-19)27-25(29)24(20-7-2-1-3-8-20)28-12-14-33(30,31)15-13-28/h1-11,16-17,24H,12-15,18H2,(H,27,29)
InChIKeyZOJQQMDOENUQOI-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide
CID 56505728
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 56504793
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-phenylacetamide
CID 56573315
N-[3-[[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]methyl]phenyl]butanamide
CID 56505958
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505439
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetohydrazide
CID 56573823
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 95785630
N-[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 56573573
N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86934038
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56505820
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide (CID 56513025) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide is O=C(Nc1cccc(COc2cccc(F)c2)c1)C(c1ccccc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide?
The InChIKey is ZOJQQMDOENUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c26-21-9-5-11-23(17-21)32-18-19-6-4-10-22(16-19)27-25(29)24(20-7-2-1-3-8-20)28-12-14-33(30,31)15-13-28/h1-11,16-17,24H,12-15,18H2,(H,27,29).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide has a molecular weight of 468.55 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 56513025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).