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

C18H25FN4O6S — CID 16807541

IUPACN'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O6S/c19-14-1-3-15(4-2-14)30(26,27)23-9-12-29-16(23)13-21-18(25)17(24)20-5-6-22-7-10-28-11-8-22/h1-4,16H,5-13H2,(H,20,24)(H,21,25)
InChIKeyLJILNDNWSWGMOH-UHFFFAOYSA-N
MW444.49 g/mol
LogP-1.26
Rot. Bonds7

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

N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 16807541) has the molecular formula C18H25FN4O6S and a molecular weight of 444.49 g/mol. Its IUPAC name is N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID16807541
Molecular FormulaC18H25FN4O6S
Molecular Weight444.49 g/mol
Exact Mass444.15
IUPAC NameN'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O6S/c19-14-1-3-15(4-2-14)30(26,27)23-9-12-29-16(23)13-21-18(25)17(24)20-5-6-22-7-10-28-11-8-22/h1-4,16H,5-13H2,(H,20,24)(H,21,25)
InChIKeyLJILNDNWSWGMOH-UHFFFAOYSA-N
XLogP-1.26
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 5-1.26
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

4-Fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 893873
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
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
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493539
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16807588
N1-(3-morpholinopropyl)-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 16807599
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16808159
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(2-hydroxyethyl)oxalamide
CID 18561589
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
N-Ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2989778

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 16807541) is N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is LJILNDNWSWGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O6S/c19-14-1-3-15(4-2-14)30(26,27)23-9-12-29-16(23)13-21-18(25)17(24)20-5-6-22-7-10-28-11-8-22/h1-4,16H,5-13H2,(H,20,24)(H,21,25).
What are the key properties of N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 444.49 g/mol, XLogP of -1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 16807541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).