2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H21N3O3S2 — CID 26562223

IUPAC2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-13-5-7-15(8-6-13)25(22,23)20-10-3-2-4-14(20)12-16(21)19-17-18-9-11-24-17/h5-9,11,14H,2-4,10,12H2,1H3,(H,18,19,21)/t14-/m1/s1
InChIKeyYOJJKJRHUWLPTR-CQSZACIVSA-N
MW379.51 g/mol
LogP3.02
Rot. Bonds5

About 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 26562223) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID26562223
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-13-5-7-15(8-6-13)25(22,23)20-10-3-2-4-14(20)12-16(21)19-17-18-9-11-24-17/h5-9,11,14H,2-4,10,12H2,1H3,(H,18,19,21)/t14-/m1/s1
InChIKeyYOJJKJRHUWLPTR-CQSZACIVSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562331
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 26562145
N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836945
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetate
CID 61009164
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219
methyl 4-[[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetyl]amino]benzoate
CID 26562171
2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 42065241
N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562158
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
(2R)-2-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 15038479
N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826867
N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 11627644

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 26562223) is 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YOJJKJRHUWLPTR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-13-5-7-15(8-6-13)25(22,23)20-10-3-2-4-14(20)12-16(21)19-17-18-9-11-24-17/h5-9,11,14H,2-4,10,12H2,1H3,(H,18,19,21)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 26562223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).