3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C18H19F3N2O3S — CID 25335554

IUPAC3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1NS(C)(=O)=O
InChIInChI=1S/C18H19F3N2O3S/c1-12-8-9-13(10-16(12)22-27(3,25)26)17(24)23(2)11-14-6-4-5-7-15(14)18(19,20)21/h4-10,22H,11H2,1-3H3
InChIKeyWBMKIAFHIRKYKP-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.66
Rot. Bonds5

About 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 25335554) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID25335554
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1NS(C)(=O)=O
InChIInChI=1S/C18H19F3N2O3S/c1-12-8-9-13(10-16(12)22-27(3,25)26)17(24)23(2)11-14-6-4-5-7-15(14)18(19,20)21/h4-10,22H,11H2,1-3H3
InChIKeyWBMKIAFHIRKYKP-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]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-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550716
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 55549814
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
1-methyl-3-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 112829816
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550260
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 55578637
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
3-benzyl-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 24664938

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 25335554) is 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is WBMKIAFHIRKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-12-8-9-13(10-16(12)22-27(3,25)26)17(24)23(2)11-14-6-4-5-7-15(14)18(19,20)21/h4-10,22H,11H2,1-3H3.
What are the key properties of 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25335554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).