2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide

C15H19N5O4S — CID 121165244

IUPAC2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C15H19N5O4S/c16-15(21)11-24-13-1-3-14(4-2-13)25(22,23)19-9-5-12(6-10-19)20-17-7-8-18-20/h1-4,7-8,12H,5-6,9-11H2,(H2,16,21)
InChIKeyNTVXUYXCKXLSJA-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.17
Rot. Bonds6

About 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide

2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide (PubChem CID 121165244) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
PubChem CID121165244
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C15H19N5O4S/c16-15(21)11-24-13-1-3-14(4-2-13)25(22,23)19-9-5-12(6-10-19)20-17-7-8-18-20/h1-4,7-8,12H,5-6,9-11H2,(H2,16,21)
InChIKeyNTVXUYXCKXLSJA-UHFFFAOYSA-N
XLogP0.17
TPSA120.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814431
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide
CID 119101455
2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 121161744
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide
CID 131703860
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100648532
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
2-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]acetic acid
CID 61226405
methyl 4-[3-(triazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate
CID 121178868
2-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenoxy]acetamide
CID 24552281

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide?
The IUPAC name of 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide (CID 121165244) is 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide?
The InChIKey is NTVXUYXCKXLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c16-15(21)11-24-13-1-3-14(4-2-13)25(22,23)19-9-5-12(6-10-19)20-17-7-8-18-20/h1-4,7-8,12H,5-6,9-11H2,(H2,16,21).
What are the key properties of 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide?
2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 365.42 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 121165244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).