N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

C25H25FN2O5S — CID 31824874

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)c2O1
InChIInChI=1S/C25H25FN2O5S/c1-25(2)16-18-6-5-9-22(23(18)33-25)32-15-14-27-24(29)17-10-12-19(13-11-17)34(30,31)28-21-8-4-3-7-20(21)26/h3-13,28H,14-16H2,1-2H3,(H,27,29)
InChIKeyZNSZIHPPOZXUQH-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.15
Rot. Bonds8

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 31824874) has the molecular formula C25H25FN2O5S and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID31824874
Molecular FormulaC25H25FN2O5S
Molecular Weight484.55 g/mol
Exact Mass484.15
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)c2O1
InChIInChI=1S/C25H25FN2O5S/c1-25(2)16-18-6-5-9-22(23(18)33-25)32-15-14-27-24(29)17-10-12-19(13-11-17)34(30,31)28-21-8-4-3-7-20(21)26/h3-13,28H,14-16H2,1-2H3,(H,27,29)
InChIKeyZNSZIHPPOZXUQH-UHFFFAOYSA-N
XLogP4.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.15
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

4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(methoxymethyl)benzamide
CID 39283875
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8863788
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
[2-(2-fluoroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855788
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
N-[2-(cyclohexen-1-yl)ethyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552103
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (CID 31824874) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is CC1(C)Cc2cccc(OCCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is ZNSZIHPPOZXUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O5S/c1-25(2)16-18-6-5-9-22(23(18)33-25)32-15-14-27-24(29)17-10-12-19(13-11-17)34(30,31)28-21-8-4-3-7-20(21)26/h3-13,28H,14-16H2,1-2H3,(H,27,29).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 484.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 31824874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).