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

C11H14F2N2OS — CID 119315980

IUPAC4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C11H14F2N2OS/c12-11(13)17-9-4-1-3-8(7-9)15-10(16)5-2-6-14/h1,3-4,7,11H,2,5-6,14H2,(H,15,16)
InChIKeyVLFBKQOIZOOBQU-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.68
Rot. Bonds6

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

4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide (PubChem CID 119315980) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
PubChem CID119315980
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C11H14F2N2OS/c12-11(13)17-9-4-1-3-8(7-9)15-10(16)5-2-6-14/h1,3-4,7,11H,2,5-6,14H2,(H,15,16)
InChIKeyVLFBKQOIZOOBQU-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide 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

3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
N-[3-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119770513
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
4-[3-(difluoromethylsulfanyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133790
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide (CID 119315980) is 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide is NCCCC(=O)Nc1cccc(SC(F)F)c1.
What is the InChIKey of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide?
The InChIKey is VLFBKQOIZOOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c12-11(13)17-9-4-1-3-8(7-9)15-10(16)5-2-6-14/h1,3-4,7,11H,2,5-6,14H2,(H,15,16).
What are the key properties of 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide?
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide has a molecular weight of 260.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 119315980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).