4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

C23H28N2O5S — CID 55533721

IUPAC4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O5S/c1-17(26)18-8-10-21(11-9-18)31(29,30)24(2)16-22(27)25-14-12-20(13-15-25)23(28)19-6-4-3-5-7-19/h3-11,20,23,28H,12-16H2,1-2H3
InChIKeyFQMZFAPCUTZOAZ-UHFFFAOYSA-N
MW444.55 g/mol
LogP2.48
Rot. Bonds7

About 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 55533721) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID55533721
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O5S/c1-17(26)18-8-10-21(11-9-18)31(29,30)24(2)16-22(27)25-14-12-20(13-15-25)23(28)19-6-4-3-5-7-19/h3-11,20,23,28H,12-16H2,1-2H3
InChIKeyFQMZFAPCUTZOAZ-UHFFFAOYSA-N
XLogP2.48
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 43048051
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2941900
1-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354063
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 19798416
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
4-acetyl-N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 4879572
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 110883123

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 55533721) is 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is FQMZFAPCUTZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-17(26)18-8-10-21(11-9-18)31(29,30)24(2)16-22(27)25-14-12-20(13-15-25)23(28)19-6-4-3-5-7-19/h3-11,20,23,28H,12-16H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 444.55 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55533721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).