2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide

C20H33N3O3S — CID 16881163

IUPAC2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-3-19(4-2)20(24)21-11-17-27(25,26)23-15-13-22(14-16-23)12-10-18-8-6-5-7-9-18/h5-9,19H,3-4,10-17H2,1-2H3,(H,21,24)
InChIKeyWILKVIPWNXQRBP-UHFFFAOYSA-N
MW395.57 g/mol
LogP1.73
Rot. Bonds10

About 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide

2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide (PubChem CID 16881163) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
PubChem CID16881163
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-3-19(4-2)20(24)21-11-17-27(25,26)23-15-13-22(14-16-23)12-10-18-8-6-5-7-9-18/h5-9,19H,3-4,10-17H2,1-2H3,(H,21,24)
InChIKeyWILKVIPWNXQRBP-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
CID 41349699
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide (CID 16881163) is 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide is CCC(CC)C(=O)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide?
The InChIKey is WILKVIPWNXQRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-3-19(4-2)20(24)21-11-17-27(25,26)23-15-13-22(14-16-23)12-10-18-8-6-5-7-9-18/h5-9,19H,3-4,10-17H2,1-2H3,(H,21,24).
What are the key properties of 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide?
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide has a molecular weight of 395.57 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide is sourced from PubChem (CID 16881163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).