N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide

C20H27N3O3S2 — CID 95097211

IUPACN-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc([C@@H]2CCCN(S(=O)(=O)Cc3cc(C)ccc3C)C2)n1
InChIInChI=1S/C20H27N3O3S2/c1-14-6-7-15(2)18(9-14)13-28(25,26)23-8-4-5-17(11-23)20-22-19(12-27-20)10-21-16(3)24/h6-7,9,12,17H,4-5,8,10-11,13H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyXGLCXTZBWTUFQD-QGZVFWFLSA-N
MW421.59 g/mol
LogP3.11
Rot. Bonds6

About N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide

N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 95097211) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID95097211
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc([C@@H]2CCCN(S(=O)(=O)Cc3cc(C)ccc3C)C2)n1
InChIInChI=1S/C20H27N3O3S2/c1-14-6-7-15(2)18(9-14)13-28(25,26)23-8-4-5-17(11-23)20-22-19(12-27-20)10-21-16(3)24/h6-7,9,12,17H,4-5,8,10-11,13H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyXGLCXTZBWTUFQD-QGZVFWFLSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842105
N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842140
2-methyl-N-[[2-[1-(3-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842059
N-[[2-[(3S)-1-(3-cyanophenyl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097227
2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole
CID 164639378
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
2-methyl-N-[[2-[1-(2-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 53149441
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
N-[[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71830229
N-[[2-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097143

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 95097211) is N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc([C@@H]2CCCN(S(=O)(=O)Cc3cc(C)ccc3C)C2)n1.
What is the InChIKey of N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is XGLCXTZBWTUFQD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-14-6-7-15(2)18(9-14)13-28(25,26)23-8-4-5-17(11-23)20-22-19(12-27-20)10-21-16(3)24/h6-7,9,12,17H,4-5,8,10-11,13H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 421.59 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 95097211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).