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

C17H25N3O4S — CID 39076426

IUPAC2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCCN1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-3-19-8-10-20(11-9-19)17(22)13-25(23,24)12-16(21)18-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKeyFESGXIJSHYMAOA-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.51
Rot. Bonds6

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

2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide (PubChem CID 39076426) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
PubChem CID39076426
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCCN1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-3-19-8-10-20(11-9-19)17(22)13-25(23,24)12-16(21)18-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKeyFESGXIJSHYMAOA-UHFFFAOYSA-N
XLogP0.51
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 56786191
2-[2-(4-methylanilino)-2-oxoethyl]sulfonylacetate
CID 6986822
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide
CID 39076123
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944606
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
CID 39083697
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 109134381
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
CID 162725444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide (CID 39076426) is 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide is CCN1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The InChIKey is FESGXIJSHYMAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-3-19-8-10-20(11-9-19)17(22)13-25(23,24)12-16(21)18-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,21).
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 39076426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).