4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide

C28H32N2O3S — CID 3940989

IUPAC4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C28H32N2O3S/c1-22-7-12-26(13-8-22)29-34(32,33)27-14-9-23(10-15-27)11-16-28(31)30-19-17-25(18-20-30)21-24-5-3-2-4-6-24/h2-10,12-15,25,29H,11,16-21H2,1H3
InChIKeyWUEWZPZFUYRBDH-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.21
Rot. Bonds8

About 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide

4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 3940989) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID3940989
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC Name4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C28H32N2O3S/c1-22-7-12-26(13-8-22)29-34(32,33)27-14-9-23(10-15-27)11-16-28(31)30-19-17-25(18-20-30)21-24-5-3-2-4-6-24/h2-10,12-15,25,29H,11,16-21H2,1H3
InChIKeyWUEWZPZFUYRBDH-UHFFFAOYSA-N
XLogP5.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375503
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 42700905
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 133239338
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944785
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
2-(4-benzylpiperidin-1-yl)-5-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 42751667
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
N-[(2R,3S,6R)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
CID 54639185
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide (CID 3940989) is 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is WUEWZPZFUYRBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-22-7-12-26(13-8-22)29-34(32,33)27-14-9-23(10-15-27)11-16-28(31)30-19-17-25(18-20-30)21-24-5-3-2-4-6-24/h2-10,12-15,25,29H,11,16-21H2,1H3.
What are the key properties of 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 476.64 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3940989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).