N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide

C18H19F3N4O4S — CID 122267799

IUPACN-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C18H19F3N4O4S/c1-12(26)23-13-4-6-15(7-5-13)30(27,28)25-10-2-3-14(11-25)29-17-22-9-8-16(24-17)18(19,20)21/h4-9,14H,2-3,10-11H2,1H3,(H,23,26)
InChIKeyZLLBPTNKZJMQBT-UHFFFAOYSA-N
MW444.44 g/mol
LogP2.69
Rot. Bonds5

About N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 122267799) has the molecular formula C18H19F3N4O4S and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID122267799
Molecular FormulaC18H19F3N4O4S
Molecular Weight444.44 g/mol
Exact Mass444.11
IUPAC NameN-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C18H19F3N4O4S/c1-12(26)23-13-4-6-15(7-5-13)30(27,28)25-10-2-3-14(11-25)29-17-22-9-8-16(24-17)18(19,20)21/h4-9,14H,2-3,10-11H2,1H3,(H,23,26)
InChIKeyZLLBPTNKZJMQBT-UHFFFAOYSA-N
XLogP2.69
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267743
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267888
6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267904
N-(3,4-dimethylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267729
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
methyl N-[4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122258216
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
N-(3,5-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267746
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide (CID 122267799) is N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is ZLLBPTNKZJMQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O4S/c1-12(26)23-13-4-6-15(7-5-13)30(27,28)25-10-2-3-14(11-25)29-17-22-9-8-16(24-17)18(19,20)21/h4-9,14H,2-3,10-11H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 444.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 122267799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).