N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide

C20H25FN2O5S — CID 43035449

IUPACN-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCOc2ccccc2F)c1
InChIInChI=1S/C20H25FN2O5S/c1-15-8-9-16(29(25,26)22-10-12-27-3)14-17(15)20(24)23(2)11-13-28-19-7-5-4-6-18(19)21/h4-9,14,22H,10-13H2,1-3H3
InChIKeyYPTDUNURCVXLKF-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.21
Rot. Bonds10

About N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide

N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 43035449) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID43035449
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCOc2ccccc2F)c1
InChIInChI=1S/C20H25FN2O5S/c1-15-8-9-16(29(25,26)22-10-12-27-3)14-17(15)20(24)23(2)11-13-28-19-7-5-4-6-18(19)21/h4-9,14,22H,10-13H2,1-3H3
InChIKeyYPTDUNURCVXLKF-UHFFFAOYSA-N
XLogP2.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43049204
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide
CID 18132099
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814318
2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 55725310
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46537671
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55947799
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide (CID 43035449) is N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCOc2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is YPTDUNURCVXLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-15-8-9-16(29(25,26)22-10-12-27-3)14-17(15)20(24)23(2)11-13-28-19-7-5-4-6-18(19)21/h4-9,14,22H,10-13H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 424.49 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 43035449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).