N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide

C28H32N2O3S — CID 126009765

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H32N2O3S/c1-23-12-14-26(15-13-23)21-30(34(32,33)27-10-6-3-7-11-27)22-28(31)29-18-16-25(17-19-29)20-24-8-4-2-5-9-24/h2-15,25H,16-22H2,1H3
InChIKeyFBFWIDLNPIZXDF-UHFFFAOYSA-N
MW476.64 g/mol
LogP4.67
Rot. Bonds8

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 126009765) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID126009765
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H32N2O3S/c1-23-12-14-26(15-13-23)21-30(34(32,33)27-10-6-3-7-11-27)22-28(31)29-18-16-25(17-19-29)20-24-8-4-2-5-9-24/h2-15,25H,16-22H2,1H3
InChIKeyFBFWIDLNPIZXDF-UHFFFAOYSA-N
XLogP4.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 2925753
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 4883752
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 126010590
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2950979
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-[(4-bromophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1290646
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 42700905
N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934432
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126178030
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 51343685

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 126009765) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CN(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is FBFWIDLNPIZXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-23-12-14-26(15-13-23)21-30(34(32,33)27-10-6-3-7-11-27)22-28(31)29-18-16-25(17-19-29)20-24-8-4-2-5-9-24/h2-15,25H,16-22H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 476.64 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 126009765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).