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

C26H37N3O3S — CID 25487612

IUPACN-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)N(C)C)cc1
InChIInChI=1S/C26H37N3O3S/c1-6-21-8-10-22(11-9-21)24(28(4)5)18-27-26(30)23-13-15-29(16-14-23)33(31,32)25-12-7-19(2)17-20(25)3/h7-12,17,23-24H,6,13-16,18H2,1-5H3,(H,27,30)/t24-/m1/s1
InChIKeyKSBCCPSLYZBDQG-XMMPIXPASA-N
MW471.67 g/mol
LogP3.69
Rot. Bonds8

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

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 25487612) has the molecular formula C26H37N3O3S and a molecular weight of 471.67 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID25487612
Molecular FormulaC26H37N3O3S
Molecular Weight471.67 g/mol
Exact Mass471.26
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)N(C)C)cc1
InChIInChI=1S/C26H37N3O3S/c1-6-21-8-10-22(11-9-21)24(28(4)5)18-27-26(30)23-13-15-29(16-14-23)33(31,32)25-12-7-19(2)17-20(25)3/h7-12,17,23-24H,6,13-16,18H2,1-5H3,(H,27,30)/t24-/m1/s1
InChIKeyKSBCCPSLYZBDQG-XMMPIXPASA-N
XLogP3.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 51559056
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 27798668
1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone
CID 162013524
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 52909184
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24613397
ethyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26253148
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55385209

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 25487612) is N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is CCc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KSBCCPSLYZBDQG-XMMPIXPASA-N. The full InChI is InChI=1S/C26H37N3O3S/c1-6-21-8-10-22(11-9-21)24(28(4)5)18-27-26(30)23-13-15-29(16-14-23)33(31,32)25-12-7-19(2)17-20(25)3/h7-12,17,23-24H,6,13-16,18H2,1-5H3,(H,27,30)/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 471.67 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25487612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).