N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H23FN4O5S — CID 23404236

IUPACN-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(S(=O)(=O)NCc4ccncc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H23FN4O5S/c1-16(30)27-14-20-15-29(24(31)34-20)19-4-7-22(23(25)12-19)18-2-5-21(6-3-18)35(32,33)28-13-17-8-10-26-11-9-17/h2-12,20,28H,13-15H2,1H3,(H,27,30)
InChIKeyKKOGEFXDOVAKQO-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.83
Rot. Bonds8

About N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404236) has the molecular formula C24H23FN4O5S and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23404236
Molecular FormulaC24H23FN4O5S
Molecular Weight498.54 g/mol
Exact Mass498.14
IUPAC NameN-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(S(=O)(=O)NCc4ccncc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H23FN4O5S/c1-16(30)27-14-20-15-29(24(31)34-20)19-4-7-22(23(25)12-19)18-2-5-21(6-3-18)35(32,33)28-13-17-8-10-26-11-9-17/h2-12,20,28H,13-15H2,1H3,(H,27,30)
InChIKeyKKOGEFXDOVAKQO-UHFFFAOYSA-N
XLogP2.83
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045555
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-[4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71294897
N-[[(5S)-3-[4-[4-[(chloromethylsulfonylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11691301
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
N-[[(5S)-3-[3-fluoro-4-[4-[(2,2,2-trifluoroethylsulfonylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11576994
N-[[(5S)-3-[3-fluoro-4-[4-[[(3-fluoro-4-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403908
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045641
N-[[(5S)-3-[3-fluoro-4-[3-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11655005
N-[[(5S)-3-[3-fluoro-4-[4-[[(4-methylpiperazin-1-yl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403926
N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 135721059
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404236) is N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(S(=O)(=O)NCc4ccncc4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KKOGEFXDOVAKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5S/c1-16(30)27-14-20-15-29(24(31)34-20)19-4-7-22(23(25)12-19)18-2-5-21(6-3-18)35(32,33)28-13-17-8-10-26-11-9-17/h2-12,20,28H,13-15H2,1H3,(H,27,30).
What are the key properties of N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 498.54 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).