2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

C18H17ClF4N2O5S — CID 28556342

IUPAC2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C18H17ClF4N2O5S/c1-29-7-6-24-31(27,28)12-3-5-16(14(19)9-12)30-10-17(26)25-11-2-4-15(20)13(8-11)18(21,22)23/h2-5,8-9,24H,6-7,10H2,1H3,(H,25,26)
InChIKeyXDARUTFETRMLPK-UHFFFAOYSA-N
MW484.86 g/mol
LogP3.44
Rot. Bonds9

About 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 28556342) has the molecular formula C18H17ClF4N2O5S and a molecular weight of 484.86 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID28556342
Molecular FormulaC18H17ClF4N2O5S
Molecular Weight484.86 g/mol
Exact Mass484.05
IUPAC Name2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C18H17ClF4N2O5S/c1-29-7-6-24-31(27,28)12-3-5-16(14(19)9-12)30-10-17(26)25-11-2-4-15(20)13(8-11)18(21,22)23/h2-5,8-9,24H,6-7,10H2,1H3,(H,25,26)
InChIKeyXDARUTFETRMLPK-UHFFFAOYSA-N
XLogP3.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28555605
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554818
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide
CID 28556276
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388488
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 78863315
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 3969964
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4693583
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2207126
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814318

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 28556342) is 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XDARUTFETRMLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF4N2O5S/c1-29-7-6-24-31(27,28)12-3-5-16(14(19)9-12)30-10-17(26)25-11-2-4-15(20)13(8-11)18(21,22)23/h2-5,8-9,24H,6-7,10H2,1H3,(H,25,26).
What are the key properties of 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 484.86 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 28556342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).