N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C24H29F3N2O4S — CID 46580296

IUPACN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C24H29F3N2O4S/c1-16-13-17(2)22(18(3)14-16)34(31,32)29-11-9-20(10-12-29)23(30)28(4)15-19-5-7-21(8-6-19)33-24(25,26)27/h5-8,13-14,20H,9-12,15H2,1-4H3
InChIKeyMWWWVJSWEUTFGL-UHFFFAOYSA-N
MW498.57 g/mol
LogP4.57
Rot. Bonds6

About N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46580296) has the molecular formula C24H29F3N2O4S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46580296
Molecular FormulaC24H29F3N2O4S
Molecular Weight498.57 g/mol
Exact Mass498.18
IUPAC NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C24H29F3N2O4S/c1-16-13-17(2)22(18(3)14-16)34(31,32)29-11-9-20(10-12-29)23(30)28(4)15-19-5-7-21(8-6-19)33-24(25,26)27/h5-8,13-14,20H,9-12,15H2,1-4H3
InChIKeyMWWWVJSWEUTFGL-UHFFFAOYSA-N
XLogP4.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
1-N,1-N-diethyl-4-N-methyl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55682821
N-methyl-N-(2-phenoxyethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27740937
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150745
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27822863
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134004681
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
N-benzyl-N-(cyanomethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55864228

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 46580296) is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MWWWVJSWEUTFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O4S/c1-16-13-17(2)22(18(3)14-16)34(31,32)29-11-9-20(10-12-29)23(30)28(4)15-19-5-7-21(8-6-19)33-24(25,26)27/h5-8,13-14,20H,9-12,15H2,1-4H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 498.57 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46580296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).