4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide

C23H27N3O5S — CID 55610264

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCOC4=O)c3)cc2)C1
InChIInChI=1S/C23H27N3O5S/c1-16-12-17(2)15-25(14-16)32(29,30)21-8-6-18(7-9-21)22(27)24-19-4-3-5-20(13-19)26-10-11-31-23(26)28/h3-9,13,16-17H,10-12,14-15H2,1-2H3,(H,24,27)
InChIKeyDLCDPKHNINCADE-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.56
Rot. Bonds5

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide (PubChem CID 55610264) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
PubChem CID55610264
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCOC4=O)c3)cc2)C1
InChIInChI=1S/C23H27N3O5S/c1-16-12-17(2)15-25(14-16)32(29,30)21-8-6-18(7-9-21)22(27)24-19-4-3-5-20(13-19)26-10-11-31-23(26)28/h3-9,13,16-17H,10-12,14-15H2,1-2H3,(H,24,27)
InChIKeyDLCDPKHNINCADE-UHFFFAOYSA-N
XLogP3.56
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300374
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 8761875
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55677091
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 3909763
N-(1,3-benzodioxol-5-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2634707
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811955
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4850934
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41209438
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide (CID 55610264) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCOC4=O)c3)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide?
The InChIKey is DLCDPKHNINCADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-16-12-17(2)15-25(14-16)32(29,30)21-8-6-18(7-9-21)22(27)24-19-4-3-5-20(13-19)26-10-11-31-23(26)28/h3-9,13,16-17H,10-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide is sourced from PubChem (CID 55610264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).