N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide

C18H23N5O5S — CID 41092684

IUPACN'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23N5O5S/c24-17(20-7-4-9-22-10-8-19-14-22)18(25)21-13-16-23(11-12-28-16)29(26,27)15-5-2-1-3-6-15/h1-3,5-6,8,10,14,16H,4,7,9,11-13H2,(H,20,24)(H,21,25)/t16-/m1/s1
InChIKeyCASBPRLIMJFMQZ-MRXNPFEDSA-N
MW421.48 g/mol
LogP-0.45
Rot. Bonds8

About N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide

N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 41092684) has the molecular formula C18H23N5O5S and a molecular weight of 421.48 g/mol. Its IUPAC name is N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID41092684
Molecular FormulaC18H23N5O5S
Molecular Weight421.48 g/mol
Exact Mass421.14
IUPAC NameN'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23N5O5S/c24-17(20-7-4-9-22-10-8-19-14-22)18(25)21-13-16-23(11-12-28-16)29(26,27)15-5-2-1-3-6-15/h1-3,5-6,8,10,14,16H,4,7,9,11-13H2,(H,20,24)(H,21,25)/t16-/m1/s1
InChIKeyCASBPRLIMJFMQZ-MRXNPFEDSA-N
XLogP-0.45
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561381
N'-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 40785491
2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium
CID 7191407
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
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 41140136
N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 16807602
N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 41140150
dimethyl-[3-[[2-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]propyl]azanium
CID 7196283
N'-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 42399582
N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-phenylpropyl)oxamide
CID 18562588
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 18562457

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide (CID 41092684) is N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is CASBPRLIMJFMQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O5S/c24-17(20-7-4-9-22-10-8-19-14-22)18(25)21-13-16-23(11-12-28-16)29(26,27)15-5-2-1-3-6-15/h1-3,5-6,8,10,14,16H,4,7,9,11-13H2,(H,20,24)(H,21,25)/t16-/m1/s1.
What are the key properties of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 421.48 g/mol, XLogP of -0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 41092684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).