N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

C24H24FN3O4S — CID 46598946

IUPACN-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1
InChIInChI=1S/C24H24FN3O4S/c1-15-11-12-20(33(31,32)28-23-10-5-4-9-22(23)25)14-21(15)24(30)26-16(2)18-7-6-8-19(13-18)27-17(3)29/h4-14,16,28H,1-3H3,(H,26,30)(H,27,29)
InChIKeyXAAHAIPSVCSFHH-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.38
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 46598946) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID46598946
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1
InChIInChI=1S/C24H24FN3O4S/c1-15-11-12-20(33(31,32)28-23-10-5-4-9-22(23)25)14-21(15)24(30)26-16(2)18-7-6-8-19(13-18)27-17(3)29/h4-14,16,28H,1-3H3,(H,26,30)(H,27,29)
InChIKeyXAAHAIPSVCSFHH-UHFFFAOYSA-N
XLogP4.38
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43057860
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-[1-(3,4-difluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43010637
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 46598946) is N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is XAAHAIPSVCSFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-15-11-12-20(33(31,32)28-23-10-5-4-9-22(23)25)14-21(15)24(30)26-16(2)18-7-6-8-19(13-18)27-17(3)29/h4-14,16,28H,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 469.54 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 46598946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).