N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide

C23H22FN3O4S — CID 55869288

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H22FN3O4S/c1-27(2)22(28)15-16-3-9-19(10-4-16)25-23(29)17-5-11-20(12-6-17)26-32(30,31)21-13-7-18(24)8-14-21/h3-14,26H,15H2,1-2H3,(H,25,29)
InChIKeyGKNNAUGYEVYLCC-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.51
Rot. Bonds7

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 55869288) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID55869288
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H22FN3O4S/c1-27(2)22(28)15-16-3-9-19(10-4-16)25-23(29)17-5-11-20(12-6-17)26-32(30,31)21-13-7-18(24)8-14-21/h3-14,26H,15H2,1-2H3,(H,25,29)
InChIKeyGKNNAUGYEVYLCC-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 30288758
N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 32905345
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575104
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99957022
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 55869288) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide is CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is GKNNAUGYEVYLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c1-27(2)22(28)15-16-3-9-19(10-4-16)25-23(29)17-5-11-20(12-6-17)26-32(30,31)21-13-7-18(24)8-14-21/h3-14,26H,15H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 455.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55869288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).