4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide

C22H28N2O3S — CID 74228948

IUPAC4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18(25)21-7-9-22(10-8-21)28(26,27)23-14-11-19-12-15-24(16-13-19)17-20-5-3-2-4-6-20/h2-10,19,23H,11-17H2,1H3
InChIKeyPAMXUBKYEKMQKP-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.47
Rot. Bonds8

About 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide

4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide (PubChem CID 74228948) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
PubChem CID74228948
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18(25)21-7-9-22(10-8-21)28(26,27)23-14-11-19-12-15-24(16-13-19)17-20-5-3-2-4-6-20/h2-10,19,23H,11-17H2,1H3
InChIKeyPAMXUBKYEKMQKP-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 74227028
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
CID 5016701
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55475003
4-[(4-methylsulfonylpiperidin-1-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 91152837
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55356523
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide (CID 74228948) is 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is PAMXUBKYEKMQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-18(25)21-7-9-22(10-8-21)28(26,27)23-14-11-19-12-15-24(16-13-19)17-20-5-3-2-4-6-20/h2-10,19,23H,11-17H2,1H3.
What are the key properties of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 74228948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).