2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide

C13H15F3N2O2S — CID 81176174

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)c1ccc(C(F)(F)F)cc1N)C1CC1
InChIInChI=1S/C13H15F3N2O2S/c1-18(9-3-4-9)12(19)7-21(20)11-5-2-8(6-10(11)17)13(14,15)16/h2,5-6,9H,3-4,7,17H2,1H3
InChIKeyBSPOTPIYWVLCMO-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.02
Rot. Bonds4

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide (PubChem CID 81176174) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
PubChem CID81176174
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)c1ccc(C(F)(F)F)cc1N)C1CC1
InChIInChI=1S/C13H15F3N2O2S/c1-18(9-3-4-9)12(19)7-21(20)11-5-2-8(6-10(11)17)13(14,15)16/h2,5-6,9H,3-4,7,17H2,1H3
InChIKeyBSPOTPIYWVLCMO-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide 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-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81184912
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide
CID 81175290
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
2-(2,2,2-trifluoroethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81176557
2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81180904
2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81192294
2-(2-ethoxyethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81174929
5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfinyl)aniline
CID 81176043
2-hexylsulfinyl-5-(trifluoromethyl)aniline
CID 81175172
2-(2-ethylsulfonylethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81175916
6-[2-amino-4-(trifluoromethyl)phenyl]sulfinylhexan-1-ol
CID 107707391
2-[2-(oxolan-2-yl)ethylsulfinyl]-5-(trifluoromethyl)aniline
CID 81176304

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide (CID 81176174) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide is CN(C(=O)CS(=O)c1ccc(C(F)(F)F)cc1N)C1CC1.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide?
The InChIKey is BSPOTPIYWVLCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-18(9-3-4-9)12(19)7-21(20)11-5-2-8(6-10(11)17)13(14,15)16/h2,5-6,9H,3-4,7,17H2,1H3.
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide has a molecular weight of 320.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 81176174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).