N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C18H25N3O3S — CID 113146987

IUPACN-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C18H25N3O3S/c1-3-16-6-4-5-12-20(16)18(22)11-13-21(25(2,23)24)17-9-7-15(14-19)8-10-17/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyVFBUOOFUBDTKKW-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.51
Rot. Bonds6

About N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113146987) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113146987
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C18H25N3O3S/c1-3-16-6-4-5-12-20(16)18(22)11-13-21(25(2,23)24)17-9-7-15(14-19)8-10-17/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyVFBUOOFUBDTKKW-UHFFFAOYSA-N
XLogP2.51
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145419
N-(2,3-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142610
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112760192
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2376311
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140354
N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131127
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
N-(4-ethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144892
3-(3,4-dimethoxyphenyl)sulfonyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 110416123

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113146987) is N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is CCC1CCCCN1C(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is VFBUOOFUBDTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-16-6-4-5-12-20(16)18(22)11-13-21(25(2,23)24)17-9-7-15(14-19)8-10-17/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113146987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).