(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

C25H29N3O3S2 — CID 100795995

IUPAC(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)c(C)c1
InChIInChI=1S/C25H29N3O3S2/c1-16-11-17(2)24(18(3)12-16)33(30,31)28-10-6-8-21(14-28)25(29)27-22-9-5-7-20(13-22)23-15-32-19(4)26-23/h5,7,9,11-13,15,21H,6,8,10,14H2,1-4H3,(H,27,29)/t21-/m0/s1
InChIKeyAXAUJXCWAGXIES-NRFANRHFSA-N
MW483.66 g/mol
LogP5.08
Rot. Bonds5

About (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 100795995) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID100795995
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC Name(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)c(C)c1
InChIInChI=1S/C25H29N3O3S2/c1-16-11-17(2)24(18(3)12-16)33(30,31)28-10-6-8-21(14-28)25(29)27-22-9-5-7-20(13-22)23-15-32-19(4)26-23/h5,7,9,11-13,15,21H,6,8,10,14H2,1-4H3,(H,27,29)/t21-/m0/s1
InChIKeyAXAUJXCWAGXIES-NRFANRHFSA-N
XLogP5.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641452
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 125046922
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3428690
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47049742
1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 100795659
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46404196
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601109
N-(3-acetylphenyl)-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 46283895
(3R)-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-phenylpiperidine-3-carboxamide
CID 92887399

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 100795995) is (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)c(C)c1.
What is the InChIKey of (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is AXAUJXCWAGXIES-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-16-11-17(2)24(18(3)12-16)33(30,31)28-10-6-8-21(14-28)25(29)27-22-9-5-7-20(13-22)23-15-32-19(4)26-23/h5,7,9,11-13,15,21H,6,8,10,14H2,1-4H3,(H,27,29)/t21-/m0/s1.
What are the key properties of (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 483.66 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 100795995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).