ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide

C21H31F3N2O5S — CID 142009786

IUPACethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide
SMILESCC.O=C(NO)C1(SN2CCC(OCc3ccc(OC(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C19H25F3N2O5S.C2H6/c20-19(21,22)29-16-3-1-14(2-4-16)13-28-15-5-9-24(10-6-15)30-18(17(25)23-26)7-11-27-12-8-18;1-2/h1-4,15,26H,5-13H2,(H,23,25);1-2H3
InChIKeySSZRZTYNJQXJHM-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.30
Rot. Bonds7

About ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide

ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide (PubChem CID 142009786) has the molecular formula C21H31F3N2O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide.

Molecular Properties

Compound Nameethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide
PubChem CID142009786
Molecular FormulaC21H31F3N2O5S
Molecular Weight480.55 g/mol
Exact Mass480.19
IUPAC Nameethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide
SMILESCC.O=C(NO)C1(SN2CCC(OCc3ccc(OC(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C19H25F3N2O5S.C2H6/c20-19(21,22)29-16-3-1-14(2-4-16)13-28-15-5-9-24(10-6-15)30-18(17(25)23-26)7-11-27-12-8-18;1-2/h1-4,15,26H,5-13H2,(H,23,25);1-2H3
InChIKeySSZRZTYNJQXJHM-UHFFFAOYSA-N
XLogP4.30
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.30
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-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfanylpiperidine-4-carboxamide
CID 142009699
4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonyloxane-4-carbaldehyde
CID 142009718
N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
CID 142207294
N-hydroxy-4-[4-[1-(4-methoxybenzoyl)piperidin-4-yl]azepan-1-yl]sulfanyloxane-4-carboxamide
CID 142009642
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
N-hydroxy-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028164
N-[(5S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-5-yl]-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]acetamide
CID 54575849
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
CID 10137339
N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide?
The IUPAC name of ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide (CID 142009786) is ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide.
What is the SMILES notation for ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide?
The canonical SMILES for ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide is CC.O=C(NO)C1(SN2CCC(OCc3ccc(OC(F)(F)F)cc3)CC2)CCOCC1.
What is the InChIKey of ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide?
The InChIKey is SSZRZTYNJQXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O5S.C2H6/c20-19(21,22)29-16-3-1-14(2-4-16)13-28-15-5-9-24(10-6-15)30-18(17(25)23-26)7-11-27-12-8-18;1-2/h1-4,15,26H,5-13H2,(H,23,25);1-2H3.
What are the key properties of ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide?
ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide is sourced from PubChem (CID 142009786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).