N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

C20H28FN3O5S — CID 4156930

IUPACN'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCc1cc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C20H28FN3O5S/c1-14-12-16(8-9-17(14)21)30(27,28)24-10-5-11-29-18(24)13-22-19(25)20(26)23-15-6-3-2-4-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyZBDGMDPJAVOYTO-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.44
Rot. Bonds5

About N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (PubChem CID 4156930) has the molecular formula C20H28FN3O5S and a molecular weight of 441.53 g/mol. Its IUPAC name is N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
PubChem CID4156930
Molecular FormulaC20H28FN3O5S
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC NameN'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCc1cc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C20H28FN3O5S/c1-14-12-16(8-9-17(14)21)30(27,28)24-10-5-11-29-18(24)13-22-19(25)20(26)23-15-6-3-2-4-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyZBDGMDPJAVOYTO-UHFFFAOYSA-N
XLogP1.44
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3308299
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 4341568
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4850617
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((4-fluoro-2-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005843
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((2,5-dimethylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005878
N-{[3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl}-N'-(2-phenylethyl)ethanediamide
CID 16194546
N1-phenethyl-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 16194997
N1-((3-((2,5-difluorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-phenethyloxalamide
CID 18561466
N1-cyclohexyl-N2-((3-((2,5-dimethylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18562559
N1-((3-((2,5-dimethylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-phenethyloxalamide
CID 18562572
3-Methyl-2-(4-methylbenzenesulfonamido)-N-[3-(morpholin-4-YL)propyl]pentanamide
CID 20970535

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (CID 4156930) is N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is Cc1cc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NC2CCCCC2)ccc1F.
What is the InChIKey of N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The InChIKey is ZBDGMDPJAVOYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O5S/c1-14-12-16(8-9-17(14)21)30(27,28)24-10-5-11-29-18(24)13-22-19(25)20(26)23-15-6-3-2-4-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide has a molecular weight of 441.53 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is sourced from PubChem (CID 4156930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).