chempirical

N-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide

C19H19N3O5SCAS 1415566-28-7401.44 g/mol

Open in Covalent MOL file
ONHNNOOOOS
AmideCarbamateEtherLactam

Properties

Molecular formula
C19H19N3O5S
Molar mass
401.44 g/mol
Exact mass
401.1045 Da
logP
1.87Crippen estimate
Polar surface area
88.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1415566-28-7
SMILES
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1cccs1
InChIKey
SJVCANNMDYDYLN-HNNXBMFYSA-N
InChI
InChI=1S/C19H19N3O5S/c23-17-12-26-8-7-21(17)13-3-5-14(6-4-13)22-11-15(27-19(22)25)10-20-18(24)16-2-1-9-28-16/h1-6,9,15H,7-8,10-12H2,(H,20,24)/t15-/m0/s1

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Names and synonyms

1 names
  • 2-Thiophenecarboxamide, N-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-

Work with N-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rivaroxaban366789-02-873 % similar 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-morpholin-3-one446292-10-058 % similar 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride898543-06-156 % similar 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione446292-08-655 % similar 4-(4-Aminophenyl)morpholin-3-one438056-69-042 % similar 2-((2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl)-1H-isoindole-1,3(2H)-dione446292-07-540 % similar (5R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone168828-84-032 % similar Thiophene-2-carbohydrazide2361-27-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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