N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide

C16H21N3O3S — CID 8819417

IUPACN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-12(20)17-14-3-5-15(6-4-14)23-11-16(22)19-9-7-18(8-10-19)13(2)21/h3-6H,7-11H2,1-2H3,(H,17,20)
InChIKeyICGDQKHAWDAQJK-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.43
Rot. Bonds4

About N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 8819417) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID8819417
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-12(20)17-14-3-5-15(6-4-14)23-11-16(22)19-9-7-18(8-10-19)13(2)21/h3-6H,7-11H2,1-2H3,(H,17,20)
InChIKeyICGDQKHAWDAQJK-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 2421922
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 27783595
N-[4-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]sulfanylphenyl]acetamide
CID 8819642
N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide
CID 34786928
N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 41275014
N-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylphenyl]acetamide
CID 27196270
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
CID 47138243

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 8819417) is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is ICGDQKHAWDAQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12(20)17-14-3-5-15(6-4-14)23-11-16(22)19-9-7-18(8-10-19)13(2)21/h3-6H,7-11H2,1-2H3,(H,17,20).
What are the key properties of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 8819417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).