2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

C19H22Cl2N4O4S — CID 46456245

IUPAC2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22Cl2N4O4S/c20-16-5-4-15(13-17(16)21)29-14-19(26)23-7-12-30(27,28)25-10-8-24(9-11-25)18-3-1-2-6-22-18/h1-6,13H,7-12,14H2,(H,23,26)
InChIKeyHSYNEQKQHNJROC-UHFFFAOYSA-N
MW473.38 g/mol
LogP2.04
Rot. Bonds8

About 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (PubChem CID 46456245) has the molecular formula C19H22Cl2N4O4S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
PubChem CID46456245
Molecular FormulaC19H22Cl2N4O4S
Molecular Weight473.38 g/mol
Exact Mass472.07
IUPAC Name2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22Cl2N4O4S/c20-16-5-4-15(13-17(16)21)29-14-19(26)23-7-12-30(27,28)25-10-8-24(9-11-25)18-3-1-2-6-22-18/h1-6,13H,7-12,14H2,(H,23,26)
InChIKeyHSYNEQKQHNJROC-UHFFFAOYSA-N
XLogP2.04
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphthalen-2-yloxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439142
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
2-(3-methylphenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439165
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 55777397
3-chloro-4-ethoxy-5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 46455832
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-methylphenoxy)acetamide
CID 41349328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (CID 46456245) is 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The InChIKey is HSYNEQKQHNJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O4S/c20-16-5-4-15(13-17(16)21)29-14-19(26)23-7-12-30(27,28)25-10-8-24(9-11-25)18-3-1-2-6-22-18/h1-6,13H,7-12,14H2,(H,23,26).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide has a molecular weight of 473.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is sourced from PubChem (CID 46456245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).