2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

C20H25N3O3S — CID 26562145

IUPAC2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-5-3-7-18(23)14-20(24)22-15-17-6-2-4-12-21-17/h2,4,6,8-12,18H,3,5,7,13-15H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyPESOQPAPVDYQPH-GOSISDBHSA-N
MW387.51 g/mol
LogP2.64
Rot. Bonds6

About 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 26562145) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID26562145
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-5-3-7-18(23)14-20(24)22-15-17-6-2-4-12-21-17/h2,4,6,8-12,18H,3,5,7,13-15H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyPESOQPAPVDYQPH-GOSISDBHSA-N
XLogP2.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42065143
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562223
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetate
CID 61009164
(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 46652639
2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 17309406
N-[[(2R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 41184531
N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562457
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16801888
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 26562397
N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836945
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 26562145) is 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PESOQPAPVDYQPH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-5-3-7-18(23)14-20(24)22-15-17-6-2-4-12-21-17/h2,4,6,8-12,18H,3,5,7,13-15H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 26562145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).