N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C24H31ClN2O3S — CID 27773885

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3Cl)CC2)c1C
InChIInChI=1S/C24H31ClN2O3S/c1-16-14-17(2)19(4)23(18(16)3)31(29,30)27-12-10-20(11-13-27)24(28)26(5)15-21-8-6-7-9-22(21)25/h6-9,14,20H,10-13,15H2,1-5H3
InChIKeyZPBBTMBXSZEIQG-UHFFFAOYSA-N
MW463.04 g/mol
LogP4.63
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 27773885) has the molecular formula C24H31ClN2O3S and a molecular weight of 463.04 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID27773885
Molecular FormulaC24H31ClN2O3S
Molecular Weight463.04 g/mol
Exact Mass462.17
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3Cl)CC2)c1C
InChIInChI=1S/C24H31ClN2O3S/c1-16-14-17(2)19(4)23(18(16)3)31(29,30)27-12-10-20(11-13-27)24(28)26(5)15-21-8-6-7-9-22(21)25/h6-9,14,20H,10-13,15H2,1-5H3
InChIKeyZPBBTMBXSZEIQG-UHFFFAOYSA-N
XLogP4.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.04
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 52572588
N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31288395
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558333
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99956036
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55580678
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
CID 136536254
1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56509619
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 27773885) is N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3Cl)CC2)c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ZPBBTMBXSZEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3S/c1-16-14-17(2)19(4)23(18(16)3)31(29,30)27-12-10-20(11-13-27)24(28)26(5)15-21-8-6-7-9-22(21)25/h6-9,14,20H,10-13,15H2,1-5H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 463.04 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27773885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).