4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide

C21H24F3N3O4S — CID 30806953

IUPAC4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C21H24F3N3O4S/c1-27(13-16-5-7-17(8-6-16)19(28)25-14-21(22,23)24)20(29)18-9-3-15(4-10-18)11-12-26-32(2,30)31/h3-10,26H,11-14H2,1-2H3,(H,25,28)
InChIKeyUQDNEAGRFXVRNN-UHFFFAOYSA-N
MW471.50 g/mol
LogP2.34
Rot. Bonds9

About 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide

4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 30806953) has the molecular formula C21H24F3N3O4S and a molecular weight of 471.50 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID30806953
Molecular FormulaC21H24F3N3O4S
Molecular Weight471.50 g/mol
Exact Mass471.14
IUPAC Name4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C21H24F3N3O4S/c1-27(13-16-5-7-17(8-6-16)19(28)25-14-21(22,23)24)20(29)18-9-3-15(4-10-18)11-12-26-32(2,30)31/h3-10,26H,11-14H2,1-2H3,(H,25,28)
InChIKeyUQDNEAGRFXVRNN-UHFFFAOYSA-N
XLogP2.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 39997798
N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 38456683
N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 38456028
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 167811683
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
4-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34635942
1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 30806374
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 18113163
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide (CID 30806953) is 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide is CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is UQDNEAGRFXVRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S/c1-27(13-16-5-7-17(8-6-16)19(28)25-14-21(22,23)24)20(29)18-9-3-15(4-10-18)11-12-26-32(2,30)31/h3-10,26H,11-14H2,1-2H3,(H,25,28).
What are the key properties of 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 471.50 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 30806953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).