2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide

C20H21FN2O4S — CID 18379570

IUPAC2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide
SMILESCc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1ccccc1F
InChIInChI=1S/C20H21FN2O4S/c1-14-12-16(6-7-17(14)18-4-2-3-5-19(18)21)15-8-10-23(11-9-15)28(26,27)13-20(24)22-25/h2-8,12,25H,9-11,13H2,1H3,(H,22,24)
InChIKeyVCCPCGSVEBHNPV-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.73
Rot. Bonds5

About 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide

2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide (PubChem CID 18379570) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide
PubChem CID18379570
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide
SMILESCc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1ccccc1F
InChIInChI=1S/C20H21FN2O4S/c1-14-12-16(6-7-17(14)18-4-2-3-5-19(18)21)15-8-10-23(11-9-15)28(26,27)13-20(24)22-25/h2-8,12,25H,9-11,13H2,1H3,(H,22,24)
InChIKeyVCCPCGSVEBHNPV-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide?
The IUPAC name of 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide (CID 18379570) is 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide is Cc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1ccccc1F.
What is the InChIKey of 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide?
The InChIKey is VCCPCGSVEBHNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-14-12-16(6-7-17(14)18-4-2-3-5-19(18)21)15-8-10-23(11-9-15)28(26,27)13-20(24)22-25/h2-8,12,25H,9-11,13H2,1H3,(H,22,24).
What are the key properties of 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide?
2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide has a molecular weight of 404.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxyacetamide is sourced from PubChem (CID 18379570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).