N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C23H28F2N2O4S — CID 55385209

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28F2N2O4S/c1-16-3-8-21(17(2)15-16)32(29,30)27-13-10-19(11-14-27)22(28)26-12-9-18-4-6-20(7-5-18)31-23(24)25/h3-8,15,19,23H,9-14H2,1-2H3,(H,26,28)
InChIKeyGKYMXYJLCXUTMI-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.66
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55385209) has the molecular formula C23H28F2N2O4S and a molecular weight of 466.55 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55385209
Molecular FormulaC23H28F2N2O4S
Molecular Weight466.55 g/mol
Exact Mass466.17
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28F2N2O4S/c1-16-3-8-21(17(2)15-16)32(29,30)27-13-10-19(11-14-27)22(28)26-12-9-18-4-6-20(7-5-18)31-23(24)25/h3-8,15,19,23H,9-14H2,1-2H3,(H,26,28)
InChIKeyGKYMXYJLCXUTMI-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
N-(3-cyclohexyloxypropyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55408291
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003254
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25487612
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]piperidine-4-carboxamide
CID 55666096
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55385209) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC(F)F)cc3)CC2)c(C)c1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GKYMXYJLCXUTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O4S/c1-16-3-8-21(17(2)15-16)32(29,30)27-13-10-19(11-14-27)22(28)26-12-9-18-4-6-20(7-5-18)31-23(24)25/h3-8,15,19,23H,9-14H2,1-2H3,(H,26,28).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55385209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).