2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide

C20H24FNO2S — CID 174421608

IUPAC2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide
SMILESCCCCCCC(Sc1ccc(-c2ccc(F)cc2)cc1)C(=O)NO
InChIInChI=1S/C20H24FNO2S/c1-2-3-4-5-6-19(20(23)22-24)25-18-13-9-16(10-14-18)15-7-11-17(21)12-8-15/h7-14,19,24H,2-6H2,1H3,(H,22,23)
InChIKeyMTTKLJKTTWOMAJ-UHFFFAOYSA-N
MW361.48 g/mol
LogP5.43
Rot. Bonds9

About 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide

2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide (PubChem CID 174421608) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide
PubChem CID174421608
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide
SMILESCCCCCCC(Sc1ccc(-c2ccc(F)cc2)cc1)C(=O)NO
InChIInChI=1S/C20H24FNO2S/c1-2-3-4-5-6-19(20(23)22-24)25-18-13-9-16(10-14-18)15-7-11-17(21)12-8-15/h7-14,19,24H,2-6H2,1H3,(H,22,23)
InChIKeyMTTKLJKTTWOMAJ-UHFFFAOYSA-N
XLogP5.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.48
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide (CID 174421608) is 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide is CCCCCCC(Sc1ccc(-c2ccc(F)cc2)cc1)C(=O)NO.
What is the InChIKey of 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide?
The InChIKey is MTTKLJKTTWOMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-2-3-4-5-6-19(20(23)22-24)25-18-13-9-16(10-14-18)15-7-11-17(21)12-8-15/h7-14,19,24H,2-6H2,1H3,(H,22,23).
What are the key properties of 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide?
2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide has a molecular weight of 361.48 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide is sourced from PubChem (CID 174421608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).