3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide

C11H12F3NO3S — CID 171899706

IUPAC3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)19-7-3-1-6(2-4-7)10(18)8(16)5-9(15)17/h1-4,8,10,16,18H,5H2,(H2,15,17)
InChIKeyFPFKLMATTTWGON-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.57
Rot. Bonds5

About 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide

3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide (PubChem CID 171899706) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide
PubChem CID171899706
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)19-7-3-1-6(2-4-7)10(18)8(16)5-9(15)17/h1-4,8,10,16,18H,5H2,(H2,15,17)
InChIKeyFPFKLMATTTWGON-UHFFFAOYSA-N
XLogP1.57
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)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

4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
3-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 62395244
methyl 2,3-dihydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate
CID 171864586
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(methylamino)-1-[4-(trifluoromethylsulfanyl)phenyl]butane-1,2-diol
CID 171890749
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697
benzyl N-[2,3-dihydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]carbamate
CID 171856454
ethyl 3-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate
CID 62393798
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171899827
4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
CID 171899571

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
The IUPAC name of 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide (CID 171899706) is 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
The canonical SMILES for 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide is NC(=O)CC(O)C(O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
The InChIKey is FPFKLMATTTWGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)19-7-3-1-6(2-4-7)10(18)8(16)5-9(15)17/h1-4,8,10,16,18H,5H2,(H2,15,17).
What are the key properties of 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide?
3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide has a molecular weight of 295.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 171899706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).