(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide

C18H22N2O5S — CID 88851056

IUPAC(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H22N2O5S/c1-18(17(21)20-22,26(3,23)24)11-10-13-4-6-14(7-5-13)15-8-9-16(25-2)19-12-15/h4-9,12,22H,10-11H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyHUZCCBJQAUVKSG-GOSISDBHSA-N
MW378.45 g/mol
LogP2.00
Rot. Bonds7

About (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide

(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851056) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851056
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H22N2O5S/c1-18(17(21)20-22,26(3,23)24)11-10-13-4-6-14(7-5-13)15-8-9-16(25-2)19-12-15/h4-9,12,22H,10-11H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyHUZCCBJQAUVKSG-GOSISDBHSA-N
XLogP2.00
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.00
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 88851056) is (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide is COc1ccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)cn1.
What is the InChIKey of (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is HUZCCBJQAUVKSG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-18(17(21)20-22,26(3,23)24)11-10-13-4-6-14(7-5-13)15-8-9-16(25-2)19-12-15/h4-9,12,22H,10-11H2,1-3H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 378.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).