N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide

C29H40N2O3S — CID 20968630

IUPACN-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c(C)c1
InChIInChI=1S/C29H40N2O3S/c1-21-17-22(2)28(23(3)18-21)35(33,34)30-20-26-9-11-27(12-10-26)29(32)31-15-13-25(14-16-31)19-24-7-5-4-6-8-24/h4-8,17-18,25-27,30H,9-16,19-20H2,1-3H3
InChIKeyUKNVESJFDYPSEH-UHFFFAOYSA-N
MW496.72 g/mol
LogP5.18
Rot. Bonds7

About N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide

N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 20968630) has the molecular formula C29H40N2O3S and a molecular weight of 496.72 g/mol. Its IUPAC name is N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID20968630
Molecular FormulaC29H40N2O3S
Molecular Weight496.72 g/mol
Exact Mass496.28
IUPAC NameN-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c(C)c1
InChIInChI=1S/C29H40N2O3S/c1-21-17-22(2)28(23(3)18-21)35(33,34)30-20-26-9-11-27(12-10-26)29(32)31-15-13-25(14-16-31)19-24-7-5-4-6-8-24/h4-8,17-18,25-27,30H,9-16,19-20H2,1-3H3
InChIKeyUKNVESJFDYPSEH-UHFFFAOYSA-N
XLogP5.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.72
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide 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

methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
N-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 17420710
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
(4-benzylpiperidin-1-yl)-[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 100780199
N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 38175688
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 126392266
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 20968630) is N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c(C)c1.
What is the InChIKey of N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is UKNVESJFDYPSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O3S/c1-21-17-22(2)28(23(3)18-21)35(33,34)30-20-26-9-11-27(12-10-26)29(32)31-15-13-25(14-16-31)19-24-7-5-4-6-8-24/h4-8,17-18,25-27,30H,9-16,19-20H2,1-3H3.
What are the key properties of N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 496.72 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 20968630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).