4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

C23H23FN2O5S — CID 55678008

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(OC)c(F)c3)cc2)cc1
InChIInChI=1S/C23H23FN2O5S/c1-3-31-19-9-7-18(8-10-19)26-32(28,29)20-11-5-17(6-12-20)23(27)25-15-16-4-13-22(30-2)21(24)14-16/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyXNNWXYSPZJRYAC-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.96
Rot. Bonds9

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (PubChem CID 55678008) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
PubChem CID55678008
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(OC)c(F)c3)cc2)cc1
InChIInChI=1S/C23H23FN2O5S/c1-3-31-19-9-7-18(8-10-19)26-32(28,29)20-11-5-17(6-12-20)23(27)25-15-16-4-13-22(30-2)21(24)14-16/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyXNNWXYSPZJRYAC-UHFFFAOYSA-N
XLogP3.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916876
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30874214
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 41262425

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (CID 55678008) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(OC)c(F)c3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The InChIKey is XNNWXYSPZJRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-3-31-19-9-7-18(8-10-19)26-32(28,29)20-11-5-17(6-12-20)23(27)25-15-16-4-13-22(30-2)21(24)14-16/h4-14,26H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide has a molecular weight of 458.51 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55678008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).