N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide

C19H20F3N3O4S — CID 71798790

IUPACN-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C19H20F3N3O4S/c1-13(26)24-15-3-5-17(6-4-15)30(27,28)25-10-8-16(9-11-25)29-18-7-2-14(12-23-18)19(20,21)22/h2-7,12,16H,8-11H2,1H3,(H,24,26)
InChIKeyUCXXFRHUEZKXBB-UHFFFAOYSA-N
MW443.45 g/mol
LogP3.29
Rot. Bonds5

About N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 71798790) has the molecular formula C19H20F3N3O4S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID71798790
Molecular FormulaC19H20F3N3O4S
Molecular Weight443.45 g/mol
Exact Mass443.11
IUPAC NameN-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C19H20F3N3O4S/c1-13(26)24-15-3-5-17(6-4-15)30(27,28)25-10-8-16(9-11-25)29-18-7-2-14(12-23-18)19(20,21)22/h2-7,12,16H,8-11H2,1H3,(H,24,26)
InChIKeyUCXXFRHUEZKXBB-UHFFFAOYSA-N
XLogP3.29
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-sec-Butylsulfamoyl-phenoxy)-N-pyridin-3-ylmethyl-acetamide
CID 647393
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 1243342
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide
CID 2968767
1-[(4-ethoxyphenyl)sulfonyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide
CID 2988690
1-(pyridin-3-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 3243255
2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 3981165
N-(4-ethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 9551061
N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 122579293
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 127049806
3-{4-[(4-Ethoxy-2-fluorophenyl)sulfamoyl]phenyl}-1-(pyridin-3-ylmethyl)urea
CID 66610687
(E)-N-[4-(4-propan-2-yloxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978346

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide (CID 71798790) is N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is UCXXFRHUEZKXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4S/c1-13(26)24-15-3-5-17(6-4-15)30(27,28)25-10-8-16(9-11-25)29-18-7-2-14(12-23-18)19(20,21)22/h2-7,12,16H,8-11H2,1H3,(H,24,26).
What are the key properties of N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 443.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 71798790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).