2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O2S — CID 81190546

IUPAC2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(N)cccc1S(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c1-7-8(15)3-2-4-9(7)19(18)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyMQSDILRONTYSLY-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.36
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81190546) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81190546
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(N)cccc1S(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c1-7-8(15)3-2-4-9(7)19(18)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyMQSDILRONTYSLY-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)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

2-amino-N-[4-methyl-3-(trifluoromethylsulfonyl)phenyl]acetamide
CID 20390825
N-[2-[4-[(3-aminophenyl)sulfonyl]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 86593586
N-[2-[(3-aminophenyl)methylsulfonyl]ethyl]-2,2,2-trifluoroacetamide
CID 87498182
N-[(5-amino-2-ethylsulfonylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 88270563
N-[(5-amino-2-ethylsulfonylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 88270714
N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 89227592
N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 89227683
2,2,2-trifluoro-N-[4-fluoro-2-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide
CID 89644061
2,2,2-trifluoro-N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide
CID 89652704
2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide
CID 118561569
N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide
CID 121387240
N-[4-methyl-3-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide
CID 121387242

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide (CID 81190546) is 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1c(N)cccc1S(=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MQSDILRONTYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-7-8(15)3-2-4-9(7)19(18)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 294.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81190546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).