N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

C16H25N3O3S — CID 647094

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCCN1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-17-9-11-18(12-10-17)16(20)13-19(23(3,21)22)15-8-6-5-7-14(15)2/h5-8H,4,9-13H2,1-3H3
InChIKeyUBRXXSOHSLIYAK-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 647094) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID647094
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCCN1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-17-9-11-18(12-10-17)16(20)13-19(23(3,21)22)15-8-6-5-7-14(15)2/h5-8H,4,9-13H2,1-3H3
InChIKeyUBRXXSOHSLIYAK-UHFFFAOYSA-N
XLogP0.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Indoline, 1-piperidinoacetyl-
CID 41913
N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
AZ12260493
CID 11655079
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-(2-Morpholin-4-yl-2-oxo-ethyl)-N-phenyl-methanesulfonamide
CID 785142
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 815970
N-(2,5-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846479
N-(4-Isopropyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846512
N-(2,6-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846700
N-(2,4-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846829
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
N-Benzyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-methanesulfonamide
CID 848132

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (CID 647094) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is CCN1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is UBRXXSOHSLIYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-17-9-11-18(12-10-17)16(20)13-19(23(3,21)22)15-8-6-5-7-14(15)2/h5-8H,4,9-13H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 647094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).