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

C16H18ClN3O3S2 — CID 26562331

IUPAC2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C16H18ClN3O3S2/c17-12-4-6-14(7-5-12)25(22,23)20-9-2-1-3-13(20)11-15(21)19-16-18-8-10-24-16/h4-8,10,13H,1-3,9,11H2,(H,18,19,21)/t13-/m1/s1
InChIKeyVSDUTPNJXJOMBB-CYBMUJFWSA-N
MW399.93 g/mol
LogP3.37
Rot. Bonds5

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

2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 26562331) has the molecular formula C16H18ClN3O3S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID26562331
Molecular FormulaC16H18ClN3O3S2
Molecular Weight399.93 g/mol
Exact Mass399.05
IUPAC Name2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C16H18ClN3O3S2/c17-12-4-6-14(7-5-12)25(22,23)20-9-2-1-3-13(20)11-15(21)19-16-18-8-10-24-16/h4-8,10,13H,1-3,9,11H2,(H,18,19,21)/t13-/m1/s1
InChIKeyVSDUTPNJXJOMBB-CYBMUJFWSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562223
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26562263
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 26562249
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 25044879
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 16836984
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 26562331) is 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VSDUTPNJXJOMBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClN3O3S2/c17-12-4-6-14(7-5-12)25(22,23)20-9-2-1-3-13(20)11-15(21)19-16-18-8-10-24-16/h4-8,10,13H,1-3,9,11H2,(H,18,19,21)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 399.93 g/mol, XLogP of 3.37, 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-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 26562331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).