N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide

C24H25FN2O4S — CID 4096640

IUPACN-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCCOc1ccccc1N(C)C(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1F
InChIInChI=1S/C24H25FN2O4S/c1-4-31-23-8-6-5-7-22(23)27(3)24(28)20-15-19(13-14-21(20)25)32(29,30)26-16-18-11-9-17(2)10-12-18/h5-15,26H,4,16H2,1-3H3
InChIKeyIEDZIGACMMZXNT-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.29
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide

N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 4096640) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
PubChem CID4096640
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC NameN-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCCOc1ccccc1N(C)C(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1F
InChIInChI=1S/C24H25FN2O4S/c1-4-31-23-8-6-5-7-22(23)27(3)24(28)20-15-19(13-14-21(20)25)32(29,30)26-16-18-11-9-17(2)10-12-18/h5-15,26H,4,16H2,1-3H3
InChIKeyIEDZIGACMMZXNT-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide (CID 4096640) is N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide is CCOc1ccccc1N(C)C(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1F.
What is the InChIKey of N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is IEDZIGACMMZXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-4-31-23-8-6-5-7-22(23)27(3)24(28)20-15-19(13-14-21(20)25)32(29,30)26-16-18-11-9-17(2)10-12-18/h5-15,26H,4,16H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-fluoro-N-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4096640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).