N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide

C12H15F3N2OS — CID 43188508

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
SMILESCCSC(C)C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C12H15F3N2OS/c1-3-19-7(2)11(18)17-10-5-4-8(6-9(10)16)12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeySGHBBGIAVLHEOF-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.37
Rot. Bonds4

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide (PubChem CID 43188508) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
PubChem CID43188508
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
SMILESCCSC(C)C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C12H15F3N2OS/c1-3-19-7(2)11(18)17-10-5-4-8(6-9(10)16)12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeySGHBBGIAVLHEOF-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]-2-methylsulfinylpropanamide
CID 61288881
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
CID 43098659
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960611
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 110481380

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide (CID 43188508) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide is CCSC(C)C(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide?
The InChIKey is SGHBBGIAVLHEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-3-19-7(2)11(18)17-10-5-4-8(6-9(10)16)12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide has a molecular weight of 292.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide is sourced from PubChem (CID 43188508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).