N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C17H18F3N3O3S — CID 56546361

IUPACN-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3S/c1-27(25,26)23-15-8-3-2-5-12(15)10-22-16(24)11-21-14-7-4-6-13(9-14)17(18,19)20/h2-9,21,23H,10-11H2,1H3,(H,22,24)
InChIKeyJMHOPFAJSWVBRW-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.81
Rot. Bonds7

About N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56546361) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56546361
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC NameN-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3S/c1-27(25,26)23-15-8-3-2-5-12(15)10-22-16(24)11-21-14-7-4-6-13(9-14)17(18,19)20/h2-9,21,23H,10-11H2,1H3,(H,22,24)
InChIKeyJMHOPFAJSWVBRW-UHFFFAOYSA-N
XLogP2.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide 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-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539922
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538640
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540517
2-(4-tert-butylphenyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]acetamide
CID 55711321
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540445
N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56546361) is N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is CS(=O)(=O)Nc1ccccc1CNC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is JMHOPFAJSWVBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-27(25,26)23-15-8-3-2-5-12(15)10-22-16(24)11-21-14-7-4-6-13(9-14)17(18,19)20/h2-9,21,23H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 401.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56546361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).