N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H24N4O5S — CID 68938793

IUPACN-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)cc2)C(=O)O1
InChIInChI=1S/C21H24N4O5S/c1-15(26)22-13-19-14-25(21(27)30-19)18-5-2-16(3-6-18)17-4-7-20(23-12-17)24-8-10-31(28,29)11-9-24/h2-7,12,19H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyVLCIPZRSQYCFMI-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.44
Rot. Bonds5

About N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68938793) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID68938793
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)cc2)C(=O)O1
InChIInChI=1S/C21H24N4O5S/c1-15(26)22-13-19-14-25(21(27)30-19)18-5-2-16(3-6-18)17-4-7-20(23-12-17)24-8-10-31(28,29)11-9-24/h2-7,12,19H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyVLCIPZRSQYCFMI-UHFFFAOYSA-N
XLogP1.44
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-2-oxo-3-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22872368
N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11739921
N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
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
[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155532476
N-[[(5S)-3-[4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59749515
N-[[2-oxo-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987746
N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 169098098
N-[[(5S)-3-[4-[4-[[(4-methylpiperazin-1-yl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987773

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68938793) is N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)cc2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VLCIPZRSQYCFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-15(26)22-13-19-14-25(21(27)30-19)18-5-2-16(3-6-18)17-4-7-20(23-12-17)24-8-10-31(28,29)11-9-24/h2-7,12,19H,8-11,13-14H2,1H3,(H,22,26).
What are the key properties of N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68938793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).