N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C18H27ClN2O3S — CID 113155035

IUPACN-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H27ClN2O3S/c1-5-15-8-6-7-9-20(15)17(22)12-21(25(4,23)24)18-14(3)10-13(2)11-16(18)19/h10-11,15H,5-9,12H2,1-4H3
InChIKeyKARLHSUBOZKQKZ-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.51
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113155035) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113155035
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H27ClN2O3S/c1-5-15-8-6-7-9-20(15)17(22)12-21(25(4,23)24)18-14(3)10-13(2)11-16(18)19/h10-11,15H,5-9,12H2,1-4H3
InChIKeyKARLHSUBOZKQKZ-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
N-(3,5-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113168511
N-cyclopentyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113148905
N-(2,3-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142610
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113155010
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145419
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43895236
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 113155035) is N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CCC1CCCCN1C(=O)CN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is KARLHSUBOZKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-5-15-8-6-7-9-20(15)17(22)12-21(25(4,23)24)18-14(3)10-13(2)11-16(18)19/h10-11,15H,5-9,12H2,1-4H3.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 386.95 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113155035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).