N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C24H31ClFN3O3S — CID 51559056

IUPACN-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3c(F)cccc3Cl)N(C)C)CC2)c(C)c1
InChIInChI=1S/C24H31ClFN3O3S/c1-16-8-9-22(17(2)14-16)33(31,32)29-12-10-18(11-13-29)24(30)27-15-21(28(3)4)23-19(25)6-5-7-20(23)26/h5-9,14,18,21H,10-13,15H2,1-4H3,(H,27,30)/t21-/m1/s1
InChIKeyRQPUZFXUZBKYOR-OAQYLSRUSA-N
MW496.05 g/mol
LogP3.92
Rot. Bonds7

About N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 51559056) has the molecular formula C24H31ClFN3O3S and a molecular weight of 496.05 g/mol. Its IUPAC name is N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID51559056
Molecular FormulaC24H31ClFN3O3S
Molecular Weight496.05 g/mol
Exact Mass495.18
IUPAC NameN-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3c(F)cccc3Cl)N(C)C)CC2)c(C)c1
InChIInChI=1S/C24H31ClFN3O3S/c1-16-8-9-22(17(2)14-16)33(31,32)29-12-10-18(11-13-29)24(30)27-15-21(28(3)4)23-19(25)6-5-7-20(23)26/h5-9,14,18,21H,10-13,15H2,1-4H3,(H,27,30)/t21-/m1/s1
InChIKeyRQPUZFXUZBKYOR-OAQYLSRUSA-N
XLogP3.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.05
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25487612
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
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
N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24613397
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 42907237
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
N-[1-(2,5-difluorophenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46591322
1-(2,4-dimethylphenyl)sulfonyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 55724146
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 51559056) is N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3c(F)cccc3Cl)N(C)C)CC2)c(C)c1.
What is the InChIKey of N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RQPUZFXUZBKYOR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31ClFN3O3S/c1-16-8-9-22(17(2)14-16)33(31,32)29-12-10-18(11-13-29)24(30)27-15-21(28(3)4)23-19(25)6-5-7-20(23)26/h5-9,14,18,21H,10-13,15H2,1-4H3,(H,27,30)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 496.05 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 51559056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).