N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide

C19H24N2O5S — CID 91663433

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide
SMILESCC(CCc1ccc(OCCc2ccncc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-19(18(22)21-23,27(2,24)25)11-7-15-3-5-17(6-4-15)26-14-10-16-8-12-20-13-9-16/h3-6,8-9,12-13,23H,7,10-11,14H2,1-2H3,(H,21,22)
InChIKeyZTBFVKPTJFZPQW-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.94
Rot. Bonds9

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide (PubChem CID 91663433) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide
PubChem CID91663433
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide
SMILESCC(CCc1ccc(OCCc2ccncc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-19(18(22)21-23,27(2,24)25)11-7-15-3-5-17(6-4-15)26-14-10-16-8-12-20-13-9-16/h3-6,8-9,12-13,23H,7,10-11,14H2,1-2H3,(H,21,22)
InChIKeyZTBFVKPTJFZPQW-UHFFFAOYSA-N
XLogP1.94
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.94
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 N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide (CID 91663433) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide is CC(CCc1ccc(OCCc2ccncc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide?
The InChIKey is ZTBFVKPTJFZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-19(18(22)21-23,27(2,24)25)11-7-15-3-5-17(6-4-15)26-14-10-16-8-12-20-13-9-16/h3-6,8-9,12-13,23H,7,10-11,14H2,1-2H3,(H,21,22).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide has a molecular weight of 392.48 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide is sourced from PubChem (CID 91663433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).