N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide

C22H28N2O3S — CID 9165150

IUPACN-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18-7-9-21(10-8-18)28(26,27)16-13-22(25)23-20-11-14-24(15-12-20)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeyQKIUGAUNURPAQJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP2.94
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 9165150) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID9165150
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18-7-9-21(10-8-18)28(26,27)16-13-22(25)23-20-11-14-24(15-12-20)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeyQKIUGAUNURPAQJ-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide 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

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375
N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 42878689
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
1-[3-(benzenesulfonyl)propyl]-3-(1-benzylpiperidin-4-yl)urea
CID 60592524
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 46628484
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
CID 42700171

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 9165150) is N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is QKIUGAUNURPAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-18-7-9-21(10-8-18)28(26,27)16-13-22(25)23-20-11-14-24(15-12-20)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 400.54 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 9165150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).