2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide

C12H15F3N2OS — CID 79796566

IUPAC2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2OS/c1-3-11(2,16)10(18)17-8-4-6-9(7-5-8)19-12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyWLWCQTRPBDAIMC-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide

2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide (PubChem CID 79796566) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
PubChem CID79796566
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2OS/c1-3-11(2,16)10(18)17-8-4-6-9(7-5-8)19-12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyWLWCQTRPBDAIMC-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2,2-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63680173
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62832181
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
4-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 80543411
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
CID 79796992

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide (CID 79796566) is 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide is CCC(C)(N)C(=O)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
The InChIKey is WLWCQTRPBDAIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-3-11(2,16)10(18)17-8-4-6-9(7-5-8)19-12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide has a molecular weight of 292.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 79796566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).