(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide

C18H26FN3O5S — CID 18727175

IUPAC(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OC[C@@H](NS(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1)C(=O)NO
InChIInChI=1S/C18H26FN3O5S/c1-18(2,3)27-12-16(17(23)20-24)21-28(25,26)22-10-8-14(9-11-22)13-4-6-15(19)7-5-13/h4-8,16,21,24H,9-12H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyLCANVAXDURMNBF-MRXNPFEDSA-N
MW415.49 g/mol
LogP1.44
Rot. Bonds7

About (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide

(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 18727175) has the molecular formula C18H26FN3O5S and a molecular weight of 415.49 g/mol. Its IUPAC name is (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID18727175
Molecular FormulaC18H26FN3O5S
Molecular Weight415.49 g/mol
Exact Mass415.16
IUPAC Name(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OC[C@@H](NS(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1)C(=O)NO
InChIInChI=1S/C18H26FN3O5S/c1-18(2,3)27-12-16(17(23)20-24)21-28(25,26)22-10-8-14(9-11-22)13-4-6-15(19)7-5-13/h4-8,16,21,24H,9-12H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyLCANVAXDURMNBF-MRXNPFEDSA-N
XLogP1.44
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxyacetamide
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4-(4-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 92580442
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
CID 86204306
methyl 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylate
CID 3381473
methyl 3-phenyl-2-[[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate
CID 18379571
1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3643766
1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3816431
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
methyl 1,5-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrrole-2-carboxylate
CID 53027672
(2R)-2-[[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]hexanoic acid
CID 21334176
2-[[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pent-4-enoic acid
CID 141009839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 18727175) is (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)OC[C@@H](NS(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1)C(=O)NO.
What is the InChIKey of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is LCANVAXDURMNBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26FN3O5S/c1-18(2,3)27-12-16(17(23)20-24)21-28(25,26)22-10-8-14(9-11-22)13-4-6-15(19)7-5-13/h4-8,16,21,24H,9-12H2,1-3H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 415.49 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 18727175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).