N-tert-butyl-2-(difluoromethylsulfanyl)benzamide

C12H15F2NOS — CID 60645913

IUPACN-tert-butyl-2-(difluoromethylsulfanyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C12H15F2NOS/c1-12(2,3)15-10(16)8-6-4-5-7-9(8)17-11(13)14/h4-7,11H,1-3H3,(H,15,16)
InChIKeyVESWSWZDELCIFW-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.53
Rot. Bonds3

About N-tert-butyl-2-(difluoromethylsulfanyl)benzamide

N-tert-butyl-2-(difluoromethylsulfanyl)benzamide (PubChem CID 60645913) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is N-tert-butyl-2-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-(difluoromethylsulfanyl)benzamide
PubChem CID60645913
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC NameN-tert-butyl-2-(difluoromethylsulfanyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C12H15F2NOS/c1-12(2,3)15-10(16)8-6-4-5-7-9(8)17-11(13)14/h4-7,11H,1-3H3,(H,15,16)
InChIKeyVESWSWZDELCIFW-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(difluoromethylsulfanyl)benzamide 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-tert-butyl-2-methylsulfanylbenzamide
CID 967733
[2-(tert-butylcarbamoyl)phenyl] thiocyanate
CID 88721437
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 54990748
N-tert-butyl-2-hydroxybenzamide
CID 139189948
ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
CID 104857627
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-3-hydroxybutanoic acid
CID 43238819
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
N-tert-butyl-2-thiophen-2-ylsulfanylbenzamide
CID 101454258
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-tert-butyl-2-(difluoromethylsulfanyl)benzamide (CID 60645913) is N-tert-butyl-2-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-tert-butyl-2-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-tert-butyl-2-(difluoromethylsulfanyl)benzamide is CC(C)(C)NC(=O)c1ccccc1SC(F)F.
What is the InChIKey of N-tert-butyl-2-(difluoromethylsulfanyl)benzamide?
The InChIKey is VESWSWZDELCIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-12(2,3)15-10(16)8-6-4-5-7-9(8)17-11(13)14/h4-7,11H,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(difluoromethylsulfanyl)benzamide?
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide has a molecular weight of 259.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 60645913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).