1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

C23H28F3N3O4S — CID 10413606

IUPAC1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C23H28F3N3O4S/c1-2-29-14-12-22(13-15-29,21(30)28-31)34(32,33)19-8-6-18(7-9-19)20-10-5-17(16-27-20)4-3-11-23(24,25)26/h5-10,16,31H,2-4,11-15H2,1H3,(H,28,30)
InChIKeyNVNUVHZXPQADJC-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.77
Rot. Bonds8

About 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10413606) has the molecular formula C23H28F3N3O4S and a molecular weight of 499.56 g/mol. Its IUPAC name is 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10413606
Molecular FormulaC23H28F3N3O4S
Molecular Weight499.56 g/mol
Exact Mass499.18
IUPAC Name1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C23H28F3N3O4S/c1-2-29-14-12-22(13-15-29,21(30)28-31)34(32,33)19-8-6-18(7-9-19)20-10-5-17(16-27-20)4-3-11-23(24,25)26/h5-10,16,31H,2-4,11-15H2,1H3,(H,28,30)
InChIKeyNVNUVHZXPQADJC-UHFFFAOYSA-N
XLogP3.77
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.77
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 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide 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 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10413606) is 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is NVNUVHZXPQADJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O4S/c1-2-29-14-12-22(13-15-29,21(30)28-31)34(32,33)19-8-6-18(7-9-19)20-10-5-17(16-27-20)4-3-11-23(24,25)26/h5-10,16,31H,2-4,11-15H2,1H3,(H,28,30).
What are the key properties of 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10413606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).