2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide

C16H22N4O4S — CID 51126659

IUPAC2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)COc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)20-10-8-19(9-11-20)7-6-18-16(21)13-24-15-4-2-14(12-17)3-5-15/h2-5H,6-11,13H2,1H3,(H,18,21)
InChIKeyPGIMKYGAXQVWDQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP-0.37
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide

2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (PubChem CID 51126659) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
PubChem CID51126659
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)COc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)20-10-8-19(9-11-20)7-6-18-16(21)13-24-15-4-2-14(12-17)3-5-15/h2-5H,6-11,13H2,1H3,(H,18,21)
InChIKeyPGIMKYGAXQVWDQ-UHFFFAOYSA-N
XLogP-0.37
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyanophenoxy)-N-(2-sulfamoylethyl)acetamide
CID 43552443
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196142
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
CID 55660304
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
2-[2-[[2-(4-cyanophenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242589
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzonitrile
CID 60980737
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (CID 51126659) is 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is CS(=O)(=O)N1CCN(CCNC(=O)COc2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is PGIMKYGAXQVWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-25(22,23)20-10-8-19(9-11-20)7-6-18-16(21)13-24-15-4-2-14(12-17)3-5-15/h2-5H,6-11,13H2,1H3,(H,18,21).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of -0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 51126659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).