N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide

C13H17F2NOS — CID 52896199

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C13H17F2NOS/c1-13(2,3)8-11(17)16-9-6-4-5-7-10(9)18-12(14)15/h4-7,12H,8H2,1-3H3,(H,16,17)
InChIKeyUOTYNKUAGWLEQU-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.38
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide

N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 52896199) has the molecular formula C13H17F2NOS and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
PubChem CID52896199
Molecular FormulaC13H17F2NOS
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C13H17F2NOS/c1-13(2,3)8-11(17)16-9-6-4-5-7-10(9)18-12(14)15/h4-7,12H,8H2,1-3H3,(H,16,17)
InChIKeyUOTYNKUAGWLEQU-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide 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

(2S)-2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid
CID 40803053
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
CID 24510717
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
1-[2-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111473399
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
1-[2-(difluoromethylsulfanyl)phenyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 94818398
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632
N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
CID 107020226
3-[2-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414336

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide (CID 52896199) is N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is UOTYNKUAGWLEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NOS/c1-13(2,3)8-11(17)16-9-6-4-5-7-10(9)18-12(14)15/h4-7,12H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide?
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 273.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 52896199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).