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

C16H23N3O5S — CID 3275625

IUPACN-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23N3O5S/c1-3-17-15(20)16(21)18-11-14-19(9-4-10-24-14)25(22,23)13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVSRRVXHJAFYNCC-UHFFFAOYSA-N
MW369.44 g/mol
LogP-0.02
Rot. Bonds5

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

N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (PubChem CID 3275625) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
PubChem CID3275625
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23N3O5S/c1-3-17-15(20)16(21)18-11-14-19(9-4-10-24-14)25(22,23)13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVSRRVXHJAFYNCC-UHFFFAOYSA-N
XLogP-0.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl-[2-[[2-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methylamino]-2-oxoacetyl]amino]ethyl]azanium
CID 7197066
N'-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-phenylethyl)oxamide
CID 42427977
N-[2-(4-chlorophenyl)ethyl]-N'-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41130121
N-[[(2R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 42428002
N'-[(4-fluorophenyl)methyl]-N-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399546
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561526
N-[[(2R)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 42399574
N-butyl-N'-[[(2S)-3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7206991
N-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16825640
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 18562457
N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide
CID 7032477
dimethyl-[3-[[2-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]propyl]azanium
CID 7196283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The IUPAC name of N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (CID 3275625) is N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
What is the SMILES notation for N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The canonical SMILES for N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is CCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The InChIKey is VSRRVXHJAFYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-3-17-15(20)16(21)18-11-14-19(9-4-10-24-14)25(22,23)13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide has a molecular weight of 369.44 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is sourced from PubChem (CID 3275625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).