N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide

C23H23F2N3O3S — CID 43018910

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(F)c1
InChIInChI=1S/C23H23F2N3O3S/c1-28(2)22(17-4-3-5-19(25)14-17)15-26-23(29)16-6-12-21(13-7-16)32(30,31)27-20-10-8-18(24)9-11-20/h3-14,22,27H,15H2,1-2H3,(H,26,29)
InChIKeyJKWZUYQCNHOMKN-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 43018910) has the molecular formula C23H23F2N3O3S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID43018910
Molecular FormulaC23H23F2N3O3S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(F)c1
InChIInChI=1S/C23H23F2N3O3S/c1-28(2)22(17-4-3-5-19(25)14-17)15-26-23(29)16-6-12-21(13-7-16)32(30,31)27-20-10-8-18(24)9-11-20/h3-14,22,27H,15H2,1-2H3,(H,26,29)
InChIKeyJKWZUYQCNHOMKN-UHFFFAOYSA-N
XLogP3.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24640053
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55527106
4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 47006082
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55588965
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24640055
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46522445
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46522469

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (CID 43018910) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide is CN(C)C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is JKWZUYQCNHOMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S/c1-28(2)22(17-4-3-5-19(25)14-17)15-26-23(29)16-6-12-21(13-7-16)32(30,31)27-20-10-8-18(24)9-11-20/h3-14,22,27H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 43018910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).