N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide

C21H18F3NO6S2 — CID 10278697

IUPACN-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide
SMILESO=CN(O)C(Cc1cccs1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H18F3NO6S2/c22-21(23,24)31-18-5-3-16(4-6-18)30-17-7-9-20(10-8-17)33(28,29)13-15(25(27)14-26)12-19-2-1-11-32-19/h1-11,14-15,27H,12-13H2
InChIKeyXWRPQDZEZDTELS-UHFFFAOYSA-N
MW501.50 g/mol
LogP4.67
Rot. Bonds10

About N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide

N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide (PubChem CID 10278697) has the molecular formula C21H18F3NO6S2 and a molecular weight of 501.50 g/mol. Its IUPAC name is N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide
PubChem CID10278697
Molecular FormulaC21H18F3NO6S2
Molecular Weight501.50 g/mol
Exact Mass501.05
IUPAC NameN-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide
SMILESO=CN(O)C(Cc1cccs1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H18F3NO6S2/c22-21(23,24)31-18-5-3-16(4-6-18)30-17-7-9-20(10-8-17)33(28,29)13-15(25(27)14-26)12-19-2-1-11-32-19/h1-11,14-15,27H,12-13H2
InChIKeyXWRPQDZEZDTELS-UHFFFAOYSA-N
XLogP4.67
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
N-[1-(dimethylamino)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]hydroxylamine
CID 11133842
N-[(1S)-2-[4-[difluoro-[4-(trifluoromethoxy)phenyl]methyl]phenyl]sulfonyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-hydroxyformamide
CID 177399835
N-[(1S)-2-[dihydroxy-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-λ4-sulfanyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-hydroxyformamide
CID 58725689
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
[2-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105295517
1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 17422638
N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethyl]formamide
CID 142859135
[1-cyclopropyl-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethyl]carbamic acid
CID 70252945
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
(1S)-1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanol
CID 70141531

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide?
The IUPAC name of N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide (CID 10278697) is N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide?
The canonical SMILES for N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide is O=CN(O)C(Cc1cccs1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide?
The InChIKey is XWRPQDZEZDTELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO6S2/c22-21(23,24)31-18-5-3-16(4-6-18)30-17-7-9-20(10-8-17)33(28,29)13-15(25(27)14-26)12-19-2-1-11-32-19/h1-11,14-15,27H,12-13H2.
What are the key properties of N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide?
N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide has a molecular weight of 501.50 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-thiophen-2-yl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]formamide is sourced from PubChem (CID 10278697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).