N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide

C18H21FN2O5S — CID 3615295

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O5S/c1-3-21(4-2)27(24,25)13-9-10-16(22)15(11-13)20-18(23)12-26-17-8-6-5-7-14(17)19/h5-11,22H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyPNDRIPMUPHRRPV-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.58
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 3615295) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID3615295
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O5S/c1-3-21(4-2)27(24,25)13-9-10-16(22)15(11-13)20-18(23)12-26-17-8-6-5-7-14(17)19/h5-11,22H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyPNDRIPMUPHRRPV-UHFFFAOYSA-N
XLogP2.58
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55702289
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
CID 4779757
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
CID 5134545
2-(2-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 35368287
2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
CID 9246477
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19180442
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 78798614

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide (CID 3615295) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2F)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is PNDRIPMUPHRRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-3-21(4-2)27(24,25)13-9-10-16(22)15(11-13)20-18(23)12-26-17-8-6-5-7-14(17)19/h5-11,22H,3-4,12H2,1-2H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 396.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 3615295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).