N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide

C23H22FN3O4S — CID 33231642

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C23H22FN3O4S/c1-16(28)27(2)15-17-5-3-7-21(13-17)25-23(29)18-6-4-8-22(14-18)32(30,31)26-20-11-9-19(24)10-12-20/h3-14,26H,15H2,1-2H3,(H,25,29)
InChIKeyVBYYEENZVICBMO-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.86
Rot. Bonds7

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 33231642) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID33231642
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C23H22FN3O4S/c1-16(28)27(2)15-17-5-3-7-21(13-17)25-23(29)18-6-4-8-22(14-18)32(30,31)26-20-11-9-19(24)10-12-20/h3-14,26H,15H2,1-2H3,(H,25,29)
InChIKeyVBYYEENZVICBMO-UHFFFAOYSA-N
XLogP3.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134056280

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide (CID 33231642) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide is CC(=O)N(C)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is VBYYEENZVICBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c1-16(28)27(2)15-17-5-3-7-21(13-17)25-23(29)18-6-4-8-22(14-18)32(30,31)26-20-11-9-19(24)10-12-20/h3-14,26H,15H2,1-2H3,(H,25,29).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 455.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 33231642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).