N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H24FN3O6S2 — CID 10162427

IUPACN-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCS(=O)(=O)N=S1(=O)CC=C(c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C19H24FN3O6S2/c1-3-31(27,28)22-30(26)8-6-14(7-9-30)17-5-4-15(10-18(17)20)23-12-16(29-19(23)25)11-21-13(2)24/h4-6,10,16H,3,7-9,11-12H2,1-2H3,(H,21,24)/t16-,30?/m1/s1
InChIKeyIHUXNWPXEPYHJN-GZMMZOGISA-N
MW473.55 g/mol
LogP1.89
Rot. Bonds6

About N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10162427) has the molecular formula C19H24FN3O6S2 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10162427
Molecular FormulaC19H24FN3O6S2
Molecular Weight473.55 g/mol
Exact Mass473.11
IUPAC NameN-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCS(=O)(=O)N=S1(=O)CC=C(c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C19H24FN3O6S2/c1-3-31(27,28)22-30(26)8-6-14(7-9-30)17-5-4-15(10-18(17)20)23-12-16(29-19(23)25)11-21-13(2)24/h4-6,10,16H,3,7-9,11-12H2,1-2H3,(H,21,24)/t16-,30?/m1/s1
InChIKeyIHUXNWPXEPYHJN-GZMMZOGISA-N
XLogP1.89
TPSA122.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[3-fluoro-4-(1-oxo-1-propan-2-ylsulfonylimino-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 85326719
(2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide
CID 142175980
3-[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]amino]propyl butanoate
CID 142175976
N-[[3-[3-fluoro-4-[(1S)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57138415
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[(5S)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18684839
4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 20598820
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-[(1R,5R,6S)-6-amino-3-bicyclo[3.1.0]hex-2-enyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20786636

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10162427) is N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCS(=O)(=O)N=S1(=O)CC=C(c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2F)CC1.
What is the InChIKey of N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IHUXNWPXEPYHJN-GZMMZOGISA-N. The full InChI is InChI=1S/C19H24FN3O6S2/c1-3-31(27,28)22-30(26)8-6-14(7-9-30)17-5-4-15(10-18(17)20)23-12-16(29-19(23)25)11-21-13(2)24/h4-6,10,16H,3,7-9,11-12H2,1-2H3,(H,21,24)/t16-,30?/m1/s1.
What are the key properties of N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 473.55 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10162427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).