N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide

C22H24N2O5S — CID 91663420

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide
SMILESCC(CCc1ccc(OCc2cccc3cccnc23)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H24N2O5S/c1-22(21(25)24-26,30(2,27)28)13-12-16-8-10-19(11-9-16)29-15-18-6-3-5-17-7-4-14-23-20(17)18/h3-11,14,26H,12-13,15H2,1-2H3,(H,24,25)
InChIKeyUQDBVXHUMJIVSM-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.06
Rot. Bonds8

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide (PubChem CID 91663420) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide
PubChem CID91663420
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide
SMILESCC(CCc1ccc(OCc2cccc3cccnc23)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H24N2O5S/c1-22(21(25)24-26,30(2,27)28)13-12-16-8-10-19(11-9-16)29-15-18-6-3-5-17-7-4-14-23-20(17)18/h3-11,14,26H,12-13,15H2,1-2H3,(H,24,25)
InChIKeyUQDBVXHUMJIVSM-UHFFFAOYSA-N
XLogP3.06
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.06
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-(quinolin-8-ylmethoxy)phenyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide (CID 91663420) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide is CC(CCc1ccc(OCc2cccc3cccnc23)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide?
The InChIKey is UQDBVXHUMJIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-22(21(25)24-26,30(2,27)28)13-12-16-8-10-19(11-9-16)29-15-18-6-3-5-17-7-4-14-23-20(17)18/h3-11,14,26H,12-13,15H2,1-2H3,(H,24,25).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide has a molecular weight of 428.51 g/mol, XLogP of 3.06, 8 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-(quinolin-8-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 91663420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).