2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C20H25N3O3S — CID 50767959

IUPAC2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-4-6-19(7-5-16)27(25,26)23-11-8-17(9-12-23)13-20(24)22-15-18-3-2-10-21-14-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,22,24)
InChIKeyRIIYGXAYSCMNOV-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.50
Rot. Bonds6

About 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 50767959) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID50767959
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-4-6-19(7-5-16)27(25,26)23-11-8-17(9-12-23)13-20(24)22-15-18-3-2-10-21-14-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,22,24)
InChIKeyRIIYGXAYSCMNOV-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
N-[(3-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294908
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(pyridin-3-ylmethylamino)ethanone
CID 43816887
1-[4-[4-(3-methyl-2-oxobutyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 147621686
N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294858
(2S)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40696797
N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767947
1-[4-[4-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610612
2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53010074
1-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610827

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 50767959) is 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RIIYGXAYSCMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-4-6-19(7-5-16)27(25,26)23-11-8-17(9-12-23)13-20(24)22-15-18-3-2-10-21-14-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,22,24).
What are the key properties of 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 50767959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).