3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide

C19H19F3N2O4S — CID 70130011

IUPAC3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1cccc(C(=O)NC(C)S(C)(=O)=O)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4S/c1-11-5-4-6-15(18(26)23-12(2)29(3,27)28)16(11)24-17(25)13-7-9-14(10-8-13)19(20,21)22/h4-10,12H,1-3H3,(H,23,26)(H,24,25)
InChIKeyWEWOTVAFINYIJC-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.39
Rot. Bonds5

About 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide

3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 70130011) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID70130011
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1cccc(C(=O)NC(C)S(C)(=O)=O)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4S/c1-11-5-4-6-15(18(26)23-12(2)29(3,27)28)16(11)24-17(25)13-7-9-14(10-8-13)19(20,21)22/h4-10,12H,1-3H3,(H,23,26)(H,24,25)
InChIKeyWEWOTVAFINYIJC-UHFFFAOYSA-N
XLogP3.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-[3-benzamido-6-methyl-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 87595404
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
3-chloro-N-[2-methyl-6-[[(2S)-1-methylsulfanylpropan-2-yl]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174993762
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 86921324
2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 114970666
3-methyl-2-nitro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46597776
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838438

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide (CID 70130011) is 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide is Cc1cccc(C(=O)NC(C)S(C)(=O)=O)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is WEWOTVAFINYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-11-5-4-6-15(18(26)23-12(2)29(3,27)28)16(11)24-17(25)13-7-9-14(10-8-13)19(20,21)22/h4-10,12H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 428.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 70130011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).