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

C20H26FN3O6S2 — CID 85326719

IUPACN-[[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
SMILESCC(=O)NCC1CN(c2ccc(C3=CCS(=O)(=NS(=O)(=O)C(C)C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H26FN3O6S2/c1-13(2)32(28,29)23-31(27)8-6-15(7-9-31)18-5-4-16(10-19(18)21)24-12-17(30-20(24)26)11-22-14(3)25/h4-6,10,13,17H,7-9,11-12H2,1-3H3,(H,22,25)
InChIKeyQELJJNUIYKRWIO-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.28
Rot. Bonds6

About 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

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 (PubChem CID 85326719) has the molecular formula C20H26FN3O6S2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID85326719
Molecular FormulaC20H26FN3O6S2
Molecular Weight487.58 g/mol
Exact Mass487.12
IUPAC NameN-[[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
SMILESCC(=O)NCC1CN(c2ccc(C3=CCS(=O)(=NS(=O)(=O)C(C)C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H26FN3O6S2/c1-13(2)32(28,29)23-31(27)8-6-15(7-9-31)18-5-4-16(10-19(18)21)24-12-17(30-20(24)26)11-22-14(3)25/h4-6,10,13,17H,7-9,11-12H2,1-3H3,(H,22,25)
InChIKeyQELJJNUIYKRWIO-UHFFFAOYSA-N
XLogP2.28
TPSA122.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
(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
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
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
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-[[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-[[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NCC1CN(c2ccc(C3=CCS(=O)(=NS(=O)(=O)C(C)C)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is QELJJNUIYKRWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O6S2/c1-13(2)32(28,29)23-31(27)8-6-15(7-9-31)18-5-4-16(10-19(18)21)24-12-17(30-20(24)26)11-22-14(3)25/h4-6,10,13,17H,7-9,11-12H2,1-3H3,(H,22,25).
What are the key properties of 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?
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 has a molecular weight of 487.58 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 85326719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).