2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide

C17H20N4O5S — CID 100648532

IUPAC2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H20N4O5S/c18-16(22)12-25-13-3-5-15(6-4-13)27(23,24)21-9-1-2-14(11-21)26-17-10-19-7-8-20-17/h3-8,10,14H,1-2,9,11-12H2,(H2,18,22)/t14-/m1/s1
InChIKeyDPOQYESTHIXODQ-CQSZACIVSA-N
MW392.44 g/mol
LogP0.57
Rot. Bonds7

About 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide

2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide (PubChem CID 100648532) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
PubChem CID100648532
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H20N4O5S/c18-16(22)12-25-13-3-5-15(6-4-13)27(23,24)21-9-1-2-14(11-21)26-17-10-19-7-8-20-17/h3-8,10,14H,1-2,9,11-12H2,(H2,18,22)/t14-/m1/s1
InChIKeyDPOQYESTHIXODQ-CQSZACIVSA-N
XLogP0.57
TPSA124.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
CID 89245431
4-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257087
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 91627937
2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 121161744
2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
CID 121165244
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide?
The IUPAC name of 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide (CID 100648532) is 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cnccn3)C2)cc1.
What is the InChIKey of 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide?
The InChIKey is DPOQYESTHIXODQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O5S/c18-16(22)12-25-13-3-5-15(6-4-13)27(23,24)21-9-1-2-14(11-21)26-17-10-19-7-8-20-17/h3-8,10,14H,1-2,9,11-12H2,(H2,18,22)/t14-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide?
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 392.44 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 100648532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).