N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide

C10H11F3N2O3S — CID 163046685

IUPACN-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(N)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c1-5-3-4-7(15-6(2)16)9(8(5)14)19(17,18)10(11,12)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeySJIWUIJRDUFMLD-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.83
Rot. Bonds2

About N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide

N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide (PubChem CID 163046685) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide
PubChem CID163046685
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC NameN-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(N)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c1-5-3-4-7(15-6(2)16)9(8(5)14)19(17,18)10(11,12)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeySJIWUIJRDUFMLD-UHFFFAOYSA-N
XLogP1.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
CID 825465
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
CID 154143738
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
CID 170047939
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide
CID 20680888
4-bromo-3-methyl-2-(trifluoromethylsulfonyl)aniline
CID 172876527
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
N-(2-chloro-3-hydroxy-4-methylphenyl)acetamide
CID 141015549
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide (CID 163046685) is N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide is CC(=O)Nc1ccc(C)c(N)c1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is SJIWUIJRDUFMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-5-3-4-7(15-6(2)16)9(8(5)14)19(17,18)10(11,12)13/h3-4H,14H2,1-2H3,(H,15,16).
What are the key properties of N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide?
N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 296.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 163046685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).