N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide

C21H23F3N2O5S — CID 142028119

IUPACN-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
SMILESCOc1ccc(SN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c(C(=O)NO)c1OC
InChIInChI=1S/C21H23F3N2O5S/c1-29-16-7-8-17(18(19(16)30-2)20(27)25-28)32-26-11-9-15(10-12-26)31-14-5-3-13(4-6-14)21(22,23)24/h3-8,15,28H,9-12H2,1-2H3,(H,25,27)
InChIKeyYPZDNCHZQQZIPP-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.39
Rot. Bonds7

About N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide

N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide (PubChem CID 142028119) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
PubChem CID142028119
Molecular FormulaC21H23F3N2O5S
Molecular Weight472.49 g/mol
Exact Mass472.13
IUPAC NameN-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
SMILESCOc1ccc(SN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c(C(=O)NO)c1OC
InChIInChI=1S/C21H23F3N2O5S/c1-29-16-7-8-17(18(19(16)30-2)20(27)25-28)32-26-11-9-15(10-12-26)31-14-5-3-13(4-6-14)21(22,23)24/h3-8,15,28H,9-12H2,1-2H3,(H,25,27)
InChIKeyYPZDNCHZQQZIPP-UHFFFAOYSA-N
XLogP4.39
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028071
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-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
CID 142096195
2-(hydroxycarbamoyl)-3-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfanylbenzoic acid
CID 142028113
N-hydroxy-2,3-dimethoxy-6-[4-[4-[3-(trifluoromethyl)phenyl]phenoxy]piperidin-1-yl]sulfinylbenzamide
CID 142028150
N-hydroxy-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028164
6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide
CID 142206842
(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
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzene-1,2-dicarboxamide
CID 20613481

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
The IUPAC name of N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide (CID 142028119) is N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide.
What is the SMILES notation for N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
The canonical SMILES for N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide is COc1ccc(SN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c(C(=O)NO)c1OC.
What is the InChIKey of N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
The InChIKey is YPZDNCHZQQZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5S/c1-29-16-7-8-17(18(19(16)30-2)20(27)25-28)32-26-11-9-15(10-12-26)31-14-5-3-13(4-6-14)21(22,23)24/h3-8,15,28H,9-12H2,1-2H3,(H,25,27).
What are the key properties of N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide?
N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide has a molecular weight of 472.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide is sourced from PubChem (CID 142028119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).