N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide

C12H15F3N2O2S — CID 43617506

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
SMILESCC(SCCO)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2S/c1-7(20-5-4-18)11(19)17-8-2-3-10(16)9(6-8)12(13,14)15/h2-3,6-7,18H,4-5,16H2,1H3,(H,17,19)
InChIKeyRVGUPJMRHRFYOQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.34
Rot. Bonds5

About N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide

N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide (PubChem CID 43617506) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
PubChem CID43617506
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
SMILESCC(SCCO)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2S/c1-7(20-5-4-18)11(19)17-8-2-3-10(16)9(6-8)12(13,14)15/h2-3,6-7,18H,4-5,16H2,1H3,(H,17,19)
InChIKeyRVGUPJMRHRFYOQ-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide 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-[4-amino-3-(trifluoromethyl)phenyl]-2-butylsulfanylpropanamide
CID 43615777
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
CID 43125796
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
N-[4-amino-3-(trifluoromethyl)phenyl]-4-propan-2-ylsulfanylbutanamide
CID 60887024
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
CID 42912749
N-[4-amino-3-(trifluoromethyl)phenyl]-2-pentylsulfanylacetamide
CID 107748472
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316
methyl 2-[(2S)-1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]sulfanylacetate
CID 29334413
3-[4-amino-3-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79154112
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide (CID 43617506) is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide is CC(SCCO)C(=O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide?
The InChIKey is RVGUPJMRHRFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-7(20-5-4-18)11(19)17-8-2-3-10(16)9(6-8)12(13,14)15/h2-3,6-7,18H,4-5,16H2,1H3,(H,17,19).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide has a molecular weight of 308.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide is sourced from PubChem (CID 43617506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).