N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide

C18H24F2N4O6S — CID 16807574

IUPACN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1OCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H24F2N4O6S/c19-13-1-2-14(20)15(11-13)31(27,28)24-7-10-30-16(24)12-22-18(26)17(25)21-3-4-23-5-8-29-9-6-23/h1-2,11,16H,3-10,12H2,(H,21,25)(H,22,26)
InChIKeyKDILWSKLMGJAEE-UHFFFAOYSA-N
MW462.48 g/mol
LogP-1.12
Rot. Bonds7

About N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 16807574) has the molecular formula C18H24F2N4O6S and a molecular weight of 462.48 g/mol. Its IUPAC name is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID16807574
Molecular FormulaC18H24F2N4O6S
Molecular Weight462.48 g/mol
Exact Mass462.14
IUPAC NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1OCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H24F2N4O6S/c19-13-1-2-14(20)15(11-13)31(27,28)24-7-10-30-16(24)12-22-18(26)17(25)21-3-4-23-5-8-29-9-6-23/h1-2,11,16H,3-10,12H2,(H,21,25)(H,22,26)
InChIKeyKDILWSKLMGJAEE-UHFFFAOYSA-N
XLogP-1.12
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 5-1.12
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-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30469604
N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]oxamide
CID 16807569
N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 18561457
N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 16807602
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30469598
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140270
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 30484551
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 42428038
N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 30469611
N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 16807567
N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 16825591
N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 12005833

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 16807574) is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NCC1OCCN1S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is KDILWSKLMGJAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O6S/c19-13-1-2-14(20)15(11-13)31(27,28)24-7-10-30-16(24)12-22-18(26)17(25)21-3-4-23-5-8-29-9-6-23/h1-2,11,16H,3-10,12H2,(H,21,25)(H,22,26).
What are the key properties of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 462.48 g/mol, XLogP of -1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 16807574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).