N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide

C20H22F3N3O3S — CID 142028071

IUPACN-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
SMILESCNc1cccc(SN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)NO
InChIInChI=1S/C20H22F3N3O3S/c1-24-16-3-2-4-17(18(16)19(27)25-28)30-26-11-9-15(10-12-26)29-14-7-5-13(6-8-14)20(21,22)23/h2-8,15,24,28H,9-12H2,1H3,(H,25,27)
InChIKeyMBCWQLBAKNBRGC-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.42
Rot. Bonds6

About N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide

N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide (PubChem CID 142028071) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
PubChem CID142028071
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC NameN-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
SMILESCNc1cccc(SN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)NO
InChIInChI=1S/C20H22F3N3O3S/c1-24-16-3-2-4-17(18(16)19(27)25-28)30-26-11-9-15(10-12-26)29-14-7-5-13(6-8-14)20(21,22)23/h2-8,15,24,28H,9-12H2,1H3,(H,25,27)
InChIKeyMBCWQLBAKNBRGC-UHFFFAOYSA-N
XLogP4.42
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028119
2-chloro-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylthiophene-3-carboxamide;chloromethane
CID 142028058
N-hydroxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanyl-1,3-benzothiazole-7-carboxamide
CID 142028030
2-(hydroxycarbamoyl)-3-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfanylbenzoic acid
CID 142028113
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
CID 142096195
N-hydroxy-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028164
1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzene-1,2-dicarboxamide
CID 20613481
(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide
CID 89109679
3-[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylphenyl]oxetan-3-ol
CID 167117230
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
CID 160946886
ethane;[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl] 1-(hydroxyamino)-1-oxo-2-phenylpropane-2-sulfinate
CID 159079066
3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 142705686

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
The IUPAC name of N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide (CID 142028071) is N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide.
What is the SMILES notation for N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
The canonical SMILES for N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide is CNc1cccc(SN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)NO.
What is the InChIKey of N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
The InChIKey is MBCWQLBAKNBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c1-24-16-3-2-4-17(18(16)19(27)25-28)30-26-11-9-15(10-12-26)29-14-7-5-13(6-8-14)20(21,22)23/h2-8,15,24,28H,9-12H2,1H3,(H,25,27).
What are the key properties of N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide has a molecular weight of 441.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide is sourced from PubChem (CID 142028071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).