4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H21FN2O5S — CID 90684333

IUPAC4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cn2)c(F)c1
InChIInChI=1S/C18H21FN2O5S/c1-18(17(22)21-23,27(3,24)25)9-8-12-4-7-16(20-11-12)14-6-5-13(26-2)10-15(14)19/h4-7,10-11,23H,8-9H2,1-3H3,(H,21,22)
InChIKeyZNXOUQACLQDFSS-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.14
Rot. Bonds7

About 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684333) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684333
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cn2)c(F)c1
InChIInChI=1S/C18H21FN2O5S/c1-18(17(22)21-23,27(3,24)25)9-8-12-4-7-16(20-11-12)14-6-5-13(26-2)10-15(14)19/h4-7,10-11,23H,8-9H2,1-3H3,(H,21,22)
InChIKeyZNXOUQACLQDFSS-UHFFFAOYSA-N
XLogP2.14
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684333) is 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is COc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cn2)c(F)c1.
What is the InChIKey of 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ZNXOUQACLQDFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-18(17(22)21-23,27(3,24)25)9-8-12-4-7-16(20-11-12)14-6-5-13(26-2)10-15(14)19/h4-7,10-11,23H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 396.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).