2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide

C22H30N2O2S — CID 16887877

IUPAC2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N2O2S/c1-18-8-9-19(2)22(16-18)27(25,26)23-17-21-11-14-24(15-12-21)13-10-20-6-4-3-5-7-20/h3-9,16,21,23H,10-15,17H2,1-2H3
InChIKeyPHJYWNXOAKLWMG-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.54
Rot. Bonds7

About 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide

2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16887877) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16887877
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N2O2S/c1-18-8-9-19(2)22(16-18)27(25,26)23-17-21-11-14-24(15-12-21)13-10-20-6-4-3-5-7-20/h3-9,16,21,23H,10-15,17H2,1-2H3
InChIKeyPHJYWNXOAKLWMG-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887899
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
2,5-dimethyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911833
4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658347
1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887905
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 74227028

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16887877) is 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is PHJYWNXOAKLWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-18-8-9-19(2)22(16-18)27(25,26)23-17-21-11-14-24(15-12-21)13-10-20-6-4-3-5-7-20/h3-9,16,21,23H,10-15,17H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16887877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).