2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide

C14H19F3N2O6S — CID 90041748

IUPAC2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
SMILESO=C(NCCOCCOCCNS(=O)(=O)c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O6S/c15-14(16,17)13(21)18-5-7-24-9-10-25-8-6-19-26(22,23)12-3-1-11(20)2-4-12/h1-4,19-20H,5-10H2,(H,18,21)
InChIKeyAPNMXHDAKOLPJH-UHFFFAOYSA-N
MW400.38 g/mol
LogP0.38
Rot. Bonds11

About 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 90041748) has the molecular formula C14H19F3N2O6S and a molecular weight of 400.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
PubChem CID90041748
Molecular FormulaC14H19F3N2O6S
Molecular Weight400.38 g/mol
Exact Mass400.09
IUPAC Name2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
SMILESO=C(NCCOCCOCCNS(=O)(=O)c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O6S/c15-14(16,17)13(21)18-5-7-24-9-10-25-8-6-19-26(22,23)12-3-1-11(20)2-4-12/h1-4,19-20H,5-10H2,(H,18,21)
InChIKeyAPNMXHDAKOLPJH-UHFFFAOYSA-N
XLogP0.38
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 155168943
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
CID 160918507
2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 118524153
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate
CID 175081117
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
4-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588284
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide (CID 90041748) is 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide is O=C(NCCOCCOCCNS(=O)(=O)c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is APNMXHDAKOLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O6S/c15-14(16,17)13(21)18-5-7-24-9-10-25-8-6-19-26(22,23)12-3-1-11(20)2-4-12/h1-4,19-20H,5-10H2,(H,18,21).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 400.38 g/mol, XLogP of 0.38, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 90041748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).