2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide

C13H18F2N2O3S — CID 60846853

IUPAC2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c1-3-8-13(2,16)11(18)17-9-6-4-5-7-10(9)21(19,20)12(14)15/h4-7,12H,3,8,16H2,1-2H3,(H,17,18)
InChIKeySDLVTHRBLWXGCD-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.14
Rot. Bonds6

About 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide

2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide (PubChem CID 60846853) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
PubChem CID60846853
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c1-3-8-13(2,16)11(18)17-9-6-4-5-7-10(9)21(19,20)12(14)15/h4-7,12H,3,8,16H2,1-2H3,(H,17,18)
InChIKeySDLVTHRBLWXGCD-UHFFFAOYSA-N
XLogP2.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
2-amino-N-[2-(difluoromethoxy)phenyl]-2-methylpentanamide
CID 54928740
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
2-[(2-amino-2-methylpentanoyl)amino]-6-fluorobenzoic acid
CID 61158491
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide (CID 60846853) is 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide?
The InChIKey is SDLVTHRBLWXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-3-8-13(2,16)11(18)17-9-6-4-5-7-10(9)21(19,20)12(14)15/h4-7,12H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide?
2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide has a molecular weight of 320.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 60846853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).