2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium

C18H29N4O5S+ — CID 7191407

IUPAC2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N4O5S/c1-3-21(4-2)11-10-19-17(23)18(24)20-14-16-22(12-13-27-16)28(25,26)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,23)(H,20,24)/p+1/t16-/m0/s1
InChIKeyQTAIJLKNNSAFCQ-INIZCTEOSA-O
MW413.52 g/mol
LogP-1.81
Rot. Bonds9

About 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium

2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium (PubChem CID 7191407) has the molecular formula C18H29N4O5S+ and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium
PubChem CID7191407
Molecular FormulaC18H29N4O5S+
Molecular Weight413.52 g/mol
Exact Mass413.19
IUPAC Name2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N4O5S/c1-3-21(4-2)11-10-19-17(23)18(24)20-14-16-22(12-13-27-16)28(25,26)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,23)(H,20,24)/p+1/t16-/m0/s1
InChIKeyQTAIJLKNNSAFCQ-INIZCTEOSA-O
XLogP-1.81
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium with MolForge

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Related Compounds

N'-[[3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16825528
N'-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-phenylethyl)oxamide
CID 41140072
dimethyl-[3-[[2-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]propyl]azanium
CID 7196283
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 41140136
N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 41092684
N'-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide
CID 41140060
N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 41140150
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 18562457
dimethyl-[2-[[2-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methylamino]-2-oxoacetyl]amino]ethyl]azanium
CID 7197066
N'-[[3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 12005846
N'-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 42399582
N-[2-(dimethylamino)ethyl]-N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 16807591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium (CID 7191407) is 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium?
The InChIKey is QTAIJLKNNSAFCQ-INIZCTEOSA-O. The full InChI is InChI=1S/C18H28N4O5S/c1-3-21(4-2)11-10-19-17(23)18(24)20-14-16-22(12-13-27-16)28(25,26)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,23)(H,20,24)/p+1/t16-/m0/s1.
What are the key properties of 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium?
2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium has a molecular weight of 413.52 g/mol, XLogP of -1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 7191407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).