N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

C19H29N3O5S — CID 18562479

IUPACN-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCCCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H29N3O5S/c1-5-7-20-18(23)19(24)21-12-16-22(8-6-9-27-16)28(25,26)17-14(3)10-13(2)11-15(17)4/h10-11,16H,5-9,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyDAMKCCWKDRPSLZ-UHFFFAOYSA-N
MW411.52 g/mol
LogP0.99
Rot. Bonds6

About N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (PubChem CID 18562479) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
PubChem CID18562479
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC NameN-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCCCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H29N3O5S/c1-5-7-20-18(23)19(24)21-12-16-22(8-6-9-27-16)28(25,26)17-14(3)10-13(2)11-15(17)4/h10-11,16H,5-9,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyDAMKCCWKDRPSLZ-UHFFFAOYSA-N
XLogP0.99
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 50.99
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'-(pyridin-4-ylmethyl)-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 12005861
N'-[(3-methoxyphenyl)methyl]-N-[[(2R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41130597
N'-[[(2R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazinan-2-yl]methyl]-N-propyloxamide
CID 41130448
N'-[(4-fluorophenyl)methyl]-N-[[(2R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399439
N'-(pyridin-4-ylmethyl)-N-[[(2S)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41092794
N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 124836607
N'-[[(2R)-3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-hydroxypropyl)oxamide
CID 7207037
N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3275625
N-[[(2R)-3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-propan-2-yloxamide
CID 7207050
N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561444
dimethyl-[2-[[2-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methylamino]-2-oxoacetyl]amino]ethyl]azanium
CID 7197066
N-butyl-N'-[[(2S)-3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7206991

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The IUPAC name of N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (CID 18562479) is N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
What is the SMILES notation for N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The canonical SMILES for N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is CCCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The InChIKey is DAMKCCWKDRPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-5-7-20-18(23)19(24)21-12-16-22(8-6-9-27-16)28(25,26)17-14(3)10-13(2)11-15(17)4/h10-11,16H,5-9,12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide has a molecular weight of 411.52 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is sourced from PubChem (CID 18562479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).