2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide

C18H22N4O6S — CID 121161744

IUPAC2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)n1
InChIInChI=1S/C18H22N4O6S/c1-26-18-20-9-6-17(21-18)28-14-7-10-22(11-8-14)29(24,25)15-4-2-13(3-5-15)27-12-16(19)23/h2-6,9,14H,7-8,10-12H2,1H3,(H2,19,23)
InChIKeyLAKVUTXQPRVJJX-UHFFFAOYSA-N
MW422.46 g/mol
LogP0.58
Rot. Bonds8

About 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide

2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide (PubChem CID 121161744) has the molecular formula C18H22N4O6S and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
PubChem CID121161744
Molecular FormulaC18H22N4O6S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC Name2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)n1
InChIInChI=1S/C18H22N4O6S/c1-26-18-20-9-6-17(21-18)28-14-7-10-22(11-8-14)29(24,25)15-4-2-13(3-5-15)27-12-16(19)23/h2-6,9,14H,7-8,10-12H2,1H3,(H2,19,23)
InChIKeyLAKVUTXQPRVJJX-UHFFFAOYSA-N
XLogP0.58
TPSA133.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
4-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161710
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
CID 121165244
2-methoxy-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161640
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121161723
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide?
The IUPAC name of 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide (CID 121161744) is 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide is COc1nccc(OC2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)n1.
What is the InChIKey of 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide?
The InChIKey is LAKVUTXQPRVJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S/c1-26-18-20-9-6-17(21-18)28-14-7-10-22(11-8-14)29(24,25)15-4-2-13(3-5-15)27-12-16(19)23/h2-6,9,14H,7-8,10-12H2,1H3,(H2,19,23).
What are the key properties of 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide?
2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 422.46 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 121161744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).