2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide

C13H18F2N2OS — CID 119770554

IUPAC2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C13H18F2N2OS/c1-3-7-13(2,16)11(18)17-9-5-4-6-10(8-9)19-12(14)15/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyAYLXGZNOIVVPIR-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.46
Rot. Bonds6

About 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide

2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide (PubChem CID 119770554) has the molecular formula C13H18F2N2OS and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
PubChem CID119770554
Molecular FormulaC13H18F2N2OS
Molecular Weight288.36 g/mol
Exact Mass288.11
IUPAC Name2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C13H18F2N2OS/c1-3-7-13(2,16)11(18)17-9-5-4-6-10(8-9)19-12(14)15/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyAYLXGZNOIVVPIR-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
4-[3-(difluoromethylsulfanyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133790
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119776002
2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119742600
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide (CID 119770554) is 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cccc(SC(F)F)c1.
What is the InChIKey of 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide?
The InChIKey is AYLXGZNOIVVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2OS/c1-3-7-13(2,16)11(18)17-9-5-4-6-10(8-9)19-12(14)15/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide?
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide has a molecular weight of 288.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 119770554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).