N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide

C19H27FN4O6S — CID 30469598

IUPACN'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O6S/c20-15-2-4-16(5-3-15)31(27,28)24-7-1-11-30-17(24)14-22-19(26)18(25)21-6-8-23-9-12-29-13-10-23/h2-5,17H,1,6-14H2,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyQGSLWVKEZBKMRP-KRWDZBQOSA-N
MW458.51 g/mol
LogP-0.87
Rot. Bonds7

About N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 30469598) has the molecular formula C19H27FN4O6S and a molecular weight of 458.51 g/mol. Its IUPAC name is N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID30469598
Molecular FormulaC19H27FN4O6S
Molecular Weight458.51 g/mol
Exact Mass458.16
IUPAC NameN'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O6S/c20-15-2-4-16(5-3-15)31(27,28)24-7-1-11-30-17(24)14-22-19(26)18(25)21-6-8-23-9-12-29-13-10-23/h2-5,17H,1,6-14H2,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyQGSLWVKEZBKMRP-KRWDZBQOSA-N
XLogP-0.87
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 30484551
N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 16807602
N'-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30469604
N'-cyclopropyl-N-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7032440
N'-cyclopentyl-N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18561570
N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16807574
N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 30469611
N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 41130441
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18561582
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41130214
N'-[[(2S)-3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 30484616
N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 18561574

Frequently Asked Questions

What is the IUPAC name of N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 30469598) is N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is QGSLWVKEZBKMRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN4O6S/c20-15-2-4-16(5-3-15)31(27,28)24-7-1-11-30-17(24)14-22-19(26)18(25)21-6-8-23-9-12-29-13-10-23/h2-5,17H,1,6-14H2,(H,21,25)(H,22,26)/t17-/m0/s1.
What are the key properties of N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 458.51 g/mol, XLogP of -0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 30469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).