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

C22H31N3O3S2 — CID 33263319

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cs1
InChIInChI=1S/C22H31N3O3S2/c1-14-12-15(2)17(4)21(16(14)3)30(27,28)25-10-7-19(8-11-25)22(26)23-9-6-20-13-29-18(5)24-20/h12-13,19H,6-11H2,1-5H3,(H,23,26)
InChIKeyUPIXYXURQGWITM-UHFFFAOYSA-N
MW449.64 g/mol
LogP3.44
Rot. Bonds6

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 33263319) has the molecular formula C22H31N3O3S2 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID33263319
Molecular FormulaC22H31N3O3S2
Molecular Weight449.64 g/mol
Exact Mass449.18
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cs1
InChIInChI=1S/C22H31N3O3S2/c1-14-12-15(2)17(4)21(16(14)3)30(27,28)25-10-7-19(8-11-25)22(26)23-9-6-20-13-29-18(5)24-20/h12-13,19H,6-11H2,1-5H3,(H,23,26)
InChIKeyUPIXYXURQGWITM-UHFFFAOYSA-N
XLogP3.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
N-(2-pyridin-3-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 39560041
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55585448
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479
N-[2-(1H-indol-3-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26710909
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119841463
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974814
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 112767751
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 33263319) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UPIXYXURQGWITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S2/c1-14-12-15(2)17(4)21(16(14)3)30(27,28)25-10-7-19(8-11-25)22(26)23-9-6-20-13-29-18(5)24-20/h12-13,19H,6-11H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 449.64 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 33263319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).