N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide

C22H25F3N4O5S — CID 142207407

IUPACN-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide
SMILESC/N=C(/Nc1cccc(S(=O)(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1C(=O)NO)C(F)(F)F
InChIInChI=1S/C22H25F3N4O5S/c1-14-6-8-15(9-7-14)34-16-10-12-29(13-11-16)35(32,33)18-5-3-4-17(19(18)20(30)28-31)27-21(26-2)22(23,24)25/h3-9,16,31H,10-13H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyYVSMRWIIHNVSPH-UHFFFAOYSA-N
MW514.53 g/mol
LogP3.35
Rot. Bonds6

About N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide

N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide (PubChem CID 142207407) has the molecular formula C22H25F3N4O5S and a molecular weight of 514.53 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide
PubChem CID142207407
Molecular FormulaC22H25F3N4O5S
Molecular Weight514.53 g/mol
Exact Mass514.15
IUPAC NameN-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide
SMILESC/N=C(/Nc1cccc(S(=O)(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1C(=O)NO)C(F)(F)F
InChIInChI=1S/C22H25F3N4O5S/c1-14-6-8-15(9-7-14)34-16-10-12-29(13-11-16)35(32,33)18-5-3-4-17(19(18)20(30)28-31)27-21(26-2)22(23,24)25/h3-9,16,31H,10-13H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyYVSMRWIIHNVSPH-UHFFFAOYSA-N
XLogP3.35
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.53
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxycarbamoyl)-3-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613388
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
CID 20613325
1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzene-1,2-dicarboxamide
CID 20613481
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
CID 160946886
3-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-2-(hydroxycarbamoyl)benzoic acid
CID 20613423
2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
N-hydroxy-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
CID 10177607
N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 20613448
N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028071
N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
CID 142207294
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide
CID 142206895

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide?
The IUPAC name of N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide (CID 142207407) is N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide?
The canonical SMILES for N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide is C/N=C(/Nc1cccc(S(=O)(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1C(=O)NO)C(F)(F)F.
What is the InChIKey of N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide?
The InChIKey is YVSMRWIIHNVSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O5S/c1-14-6-8-15(9-7-14)34-16-10-12-29(13-11-16)35(32,33)18-5-3-4-17(19(18)20(30)28-31)27-21(26-2)22(23,24)25/h3-9,16,31H,10-13H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide?
N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide has a molecular weight of 514.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide is sourced from PubChem (CID 142207407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).