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

C16H23FN4O5S — CID 16807591

IUPACN-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN4O5S/c1-20(2)8-7-18-15(22)16(23)19-11-14-21(9-10-26-14)27(24,25)13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCLIKBYIGIJICAN-UHFFFAOYSA-N
MW402.45 g/mol
LogP-1.03
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 16807591) has the molecular formula C16H23FN4O5S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID16807591
Molecular FormulaC16H23FN4O5S
Molecular Weight402.45 g/mol
Exact Mass402.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN4O5S/c1-20(2)8-7-18-15(22)16(23)19-11-14-21(9-10-26-14)27(24,25)13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCLIKBYIGIJICAN-UHFFFAOYSA-N
XLogP-1.03
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]oxamide
CID 16807569
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide
CID 7196292
N'-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 42399582
N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]oxamide
CID 16807564
N-[2-(dimethylamino)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 16808147
N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 16807602
N'-[(4-fluorophenyl)methyl]-N-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399546
N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluoro-2-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 16808165
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 16807601
N'-[(4-fluorophenyl)methyl]-N-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561376
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 41140136
N'-[[(2S)-3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(dimethylamino)ethyl]oxamide
CID 41130674

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 16807591) is N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is CN(C)CCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is CLIKBYIGIJICAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O5S/c1-20(2)8-7-18-15(22)16(23)19-11-14-21(9-10-26-14)27(24,25)13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 402.45 g/mol, XLogP of -1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 16807591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).