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

C18H19F3N2O4S — CID 24599016

IUPAC3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-28(25,26)23-16-4-2-3-15(9-16)17(24)22-10-13-5-7-14(8-6-13)11-27-12-18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeySXYQKNUONCSSRY-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.07
Rot. Bonds8

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

3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide (PubChem CID 24599016) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
PubChem CID24599016
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-28(25,26)23-16-4-2-3-15(9-16)17(24)22-10-13-5-7-14(8-6-13)11-27-12-18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeySXYQKNUONCSSRY-UHFFFAOYSA-N
XLogP3.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)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

methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55587041
3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24672381
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33370284
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
3-methyl-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 46699905
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide (CID 24599016) is 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The InChIKey is SXYQKNUONCSSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-28(25,26)23-16-4-2-3-15(9-16)17(24)22-10-13-5-7-14(8-6-13)11-27-12-18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24).
What are the key properties of 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide has a molecular weight of 416.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24599016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).