N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide

C17H23ClN4O3S — CID 78901193

IUPACN-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide
SMILESCS(=O)(=O)NCCC1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C17H23ClN4O3S/c1-26(24,25)20-8-7-15-4-2-3-9-22(15)12-17(23)21-16-10-14(18)6-5-13(16)11-19/h5-6,10,15,20H,2-4,7-9,12H2,1H3,(H,21,23)
InChIKeyDZLMCTUVJFVHOY-UHFFFAOYSA-N
MW398.92 g/mol
LogP1.94
Rot. Bonds7

About N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide (PubChem CID 78901193) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide
PubChem CID78901193
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide
SMILESCS(=O)(=O)NCCC1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C17H23ClN4O3S/c1-26(24,25)20-8-7-15-4-2-3-9-22(15)12-17(23)21-16-10-14(18)6-5-13(16)11-19/h5-6,10,15,20H,2-4,7-9,12H2,1H3,(H,21,23)
InChIKeyDZLMCTUVJFVHOY-UHFFFAOYSA-N
XLogP1.94
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333324
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734054
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
CID 124840763
N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 110881591
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 11940553
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 9135046
N-(5-chloro-2-cyanophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660736
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide (CID 78901193) is N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide is CS(=O)(=O)NCCC1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide?
The InChIKey is DZLMCTUVJFVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S/c1-26(24,25)20-8-7-15-4-2-3-9-22(15)12-17(23)21-16-10-14(18)6-5-13(16)11-19/h5-6,10,15,20H,2-4,7-9,12H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide has a molecular weight of 398.92 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 78901193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).