N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide

C18H28N4O3S — CID 113149044

IUPACN-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1
InChIInChI=1S/C18H28N4O3S/c1-26(24,25)22(16-7-3-2-4-8-16)15-18(23)21-13-11-20(12-14-21)17-9-5-6-10-19-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3
InChIKeyUBIYESWJWAIJOQ-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.32
Rot. Bonds5

About N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide

N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 113149044) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID113149044
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC NameN-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1
InChIInChI=1S/C18H28N4O3S/c1-26(24,25)22(16-7-3-2-4-8-16)15-18(23)21-13-11-20(12-14-21)17-9-5-6-10-19-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3
InChIKeyUBIYESWJWAIJOQ-UHFFFAOYSA-N
XLogP1.32
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503873
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopentylmethanesulfonamide
CID 113148846
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N,4-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2953239
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
CID 113141293

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide (CID 113149044) is N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is UBIYESWJWAIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-26(24,25)22(16-7-3-2-4-8-16)15-18(23)21-13-11-20(12-14-21)17-9-5-6-10-19-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3.
What are the key properties of N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 113149044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).