2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide

C49H71F9N6O18S3 — CID 167547216

IUPAC2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide
SMILESCC(C)[C@@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1.CC(C)[C@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1.C[C@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/2C17H25F3N2O6S.C15H21F3N2O6S/c2*1-12(2)15(22-29(25,26)14-5-3-13(23)4-6-14)11-28-10-9-27-8-7-21-16(24)17(18,19)20;1-11(20-27(23,24)13-4-2-12(21)3-5-13)10-26-9-8-25-7-6-19-14(22)15(16,17)18/h2*3-6,12,15,22-23H,7-11H2,1-2H3,(H,21,24);2-5,11,20-21H,6-10H2,1H3,(H,19,22)/t2*15-;11-/m101/s1
InChIKeyBYFAQZFUHJMIFB-TXDURFOISA-N
MW1299.31 g/mol
LogP3.58
Rot. Bonds35

About 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide (PubChem CID 167547216) has the molecular formula C49H71F9N6O18S3 and a molecular weight of 1299.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide
PubChem CID167547216
Molecular FormulaC49H71F9N6O18S3
Molecular Weight1299.31 g/mol
Exact Mass1298.38
IUPAC Name2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide
SMILESCC(C)[C@@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1.CC(C)[C@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1.C[C@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/2C17H25F3N2O6S.C15H21F3N2O6S/c2*1-12(2)15(22-29(25,26)14-5-3-13(23)4-6-14)11-28-10-9-27-8-7-21-16(24)17(18,19)20;1-11(20-27(23,24)13-4-2-12(21)3-5-13)10-26-9-8-25-7-6-19-14(22)15(16,17)18/h2*3-6,12,15,22-23H,7-11H2,1-2H3,(H,21,24);2-5,11,20-21H,6-10H2,1H3,(H,19,22)/t2*15-;11-/m101/s1
InChIKeyBYFAQZFUHJMIFB-TXDURFOISA-N
XLogP3.58
TPSA341.88 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.31
LogP ≤ 53.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide with MolForge

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Related Compounds

2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
CID 90041748
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide
CID 161328920
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
CID 139957940
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55940434
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9224721

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide (CID 167547216) is 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide is CC(C)[C@@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1.CC(C)[C@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1.C[C@H](COCCOCCNC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide?
The InChIKey is BYFAQZFUHJMIFB-TXDURFOISA-N. The full InChI is InChI=1S/2C17H25F3N2O6S.C15H21F3N2O6S/c2*1-12(2)15(22-29(25,26)14-5-3-13(23)4-6-14)11-28-10-9-27-8-7-21-16(24)17(18,19)20;1-11(20-27(23,24)13-4-2-12(21)3-5-13)10-26-9-8-25-7-6-19-14(22)15(16,17)18/h2*3-6,12,15,22-23H,7-11H2,1-2H3,(H,21,24);2-5,11,20-21H,6-10H2,1H3,(H,19,22)/t2*15-;11-/m101/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide has a molecular weight of 1299.31 g/mol, XLogP of 3.58, 35 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 167547216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).