N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C23H20F3N3O4S — CID 4874894

IUPACN-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H20F3N3O4S/c1-28(14-20(30)27-19-13-12-18(24)21(25)22(19)26)23(31)15-8-10-17(11-9-15)34(32,33)29(2)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,27,30)
InChIKeyYFGXVUOIKRZMIA-UHFFFAOYSA-N
MW491.49 g/mol
LogP3.64
Rot. Bonds7

About N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 4874894) has the molecular formula C23H20F3N3O4S and a molecular weight of 491.49 g/mol. Its IUPAC name is N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID4874894
Molecular FormulaC23H20F3N3O4S
Molecular Weight491.49 g/mol
Exact Mass491.11
IUPAC NameN-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H20F3N3O4S/c1-28(14-20(30)27-19-13-12-18(24)21(25)22(19)26)23(31)15-8-10-17(11-9-15)34(32,33)29(2)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,27,30)
InChIKeyYFGXVUOIKRZMIA-UHFFFAOYSA-N
XLogP3.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 4797097
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 170903973
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 17413733
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 43871730
2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7937851
N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2711561
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 4874894) is N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is YFGXVUOIKRZMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4S/c1-28(14-20(30)27-19-13-12-18(24)21(25)22(19)26)23(31)15-8-10-17(11-9-15)34(32,33)29(2)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,27,30).
What are the key properties of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 491.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 4874894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).