4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide

C12H16F2N2O2S — CID 120591462

IUPAC4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-18-9(7-15)6-11(17)16-8-3-2-4-10(5-8)19-12(13)14/h2-5,9,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyQZONTPYZEJYFBP-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.30
Rot. Bonds7

About 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide

4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide (PubChem CID 120591462) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
PubChem CID120591462
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-18-9(7-15)6-11(17)16-8-3-2-4-10(5-8)19-12(13)14/h2-5,9,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyQZONTPYZEJYFBP-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
CID 119315980
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
N-[3-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119770513
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide (CID 120591462) is 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cccc(SC(F)F)c1.
What is the InChIKey of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide?
The InChIKey is QZONTPYZEJYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-18-9(7-15)6-11(17)16-8-3-2-4-10(5-8)19-12(13)14/h2-5,9,12H,6-7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide?
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide has a molecular weight of 290.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120591462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).