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

C17H27N3O3S — CID 1093324

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCCN1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-18-11-13-19(14-12-18)17(21)15-20(24(2,22)23)10-9-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3
InChIKeyNVKTVDVOQZCFKN-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.65
Rot. Bonds7

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

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (PubChem CID 1093324) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
PubChem CID1093324
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCCN1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-18-11-13-19(14-12-18)17(21)15-20(24(2,22)23)10-9-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3
InChIKeyNVKTVDVOQZCFKN-UHFFFAOYSA-N
XLogP0.65
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (CID 1093324) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide is CCN1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is NVKTVDVOQZCFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-18-11-13-19(14-12-18)17(21)15-20(24(2,22)23)10-9-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 0.65, 7 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-phenylethyl)methanesulfonamide is sourced from PubChem (CID 1093324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).