N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide

C14H18F3N3O5S — CID 18723380

IUPACN-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O5S/c1-13(2,12(22)20-23)26(24,25)19-8-7-18-11(21)9-3-5-10(6-4-9)14(15,16)17/h3-6,19,23H,7-8H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyZDHOAKGSWUCIQM-UHFFFAOYSA-N
MW397.38 g/mol
LogP0.64
Rot. Bonds7

About N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 18723380) has the molecular formula C14H18F3N3O5S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID18723380
Molecular FormulaC14H18F3N3O5S
Molecular Weight397.38 g/mol
Exact Mass397.09
IUPAC NameN-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O5S/c1-13(2,12(22)20-23)26(24,25)19-8-7-18-11(21)9-3-5-10(6-4-9)14(15,16)17/h3-6,19,23H,7-8H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyZDHOAKGSWUCIQM-UHFFFAOYSA-N
XLogP0.64
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 50947431
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide (CID 18723380) is N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide is CC(C)(C(=O)NO)S(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZDHOAKGSWUCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O5S/c1-13(2,12(22)20-23)26(24,25)19-8-7-18-11(21)9-3-5-10(6-4-9)14(15,16)17/h3-6,19,23H,7-8H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 397.38 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 18723380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).