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

C14H19F3N2OS — CID 43125796

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
SMILESCC(C)CSC(C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2OS/c1-8(2)7-21-9(3)13(20)19-10-4-5-12(18)11(6-10)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20)
InChIKeyYQGGXNIYIMVTIP-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.00
Rot. Bonds5

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

N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide (PubChem CID 43125796) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
PubChem CID43125796
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
SMILESCC(C)CSC(C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2OS/c1-8(2)7-21-9(3)13(20)19-10-4-5-12(18)11(6-10)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20)
InChIKeyYQGGXNIYIMVTIP-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.00
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-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617506
N-[4-amino-3-(trifluoromethyl)phenyl]-2-butylsulfanylpropanamide
CID 43615777
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
N-[4-amino-3-(trifluoromethyl)phenyl]-4-propan-2-ylsulfanylbutanamide
CID 60887024
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
N-[4-amino-3-(trifluoromethyl)phenyl]-2-pentylsulfanylacetamide
CID 107748472
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
CID 43077513
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide (CID 43125796) is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide is CC(C)CSC(C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide?
The InChIKey is YQGGXNIYIMVTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-8(2)7-21-9(3)13(20)19-10-4-5-12(18)11(6-10)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide has a molecular weight of 320.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide is sourced from PubChem (CID 43125796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).