N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide

C20H20N2O5S — CID 10135613

IUPACN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(Cc2ccc3ncccc3c2)C(=O)NO)cc1
InChIInChI=1S/C20H20N2O5S/c1-20(19(23)22-24,28(25,26)17-8-6-16(27-2)7-9-17)13-14-5-10-18-15(12-14)4-3-11-21-18/h3-12,24H,13H2,1-2H3,(H,22,23)
InChIKeyGKWXVMYDVAXVEF-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.52
Rot. Bonds6

About N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide (PubChem CID 10135613) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
PubChem CID10135613
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(Cc2ccc3ncccc3c2)C(=O)NO)cc1
InChIInChI=1S/C20H20N2O5S/c1-20(19(23)22-24,28(25,26)17-8-6-16(27-2)7-9-17)13-14-5-10-18-15(12-14)4-3-11-21-18/h3-12,24H,13H2,1-2H3,(H,22,23)
InChIKeyGKWXVMYDVAXVEF-UHFFFAOYSA-N
XLogP2.52
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.52
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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Related Compounds

3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
CID 151533449
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide
CID 25115005
3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide
CID 18431233
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
methyl 4-quinolin-6-ylbutanoate
CID 116997352
ethene;6-methoxyquinoline
CID 174599262

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
The IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide (CID 10135613) is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
The canonical SMILES for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide is COc1ccc(S(=O)(=O)C(C)(Cc2ccc3ncccc3c2)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
The InChIKey is GKWXVMYDVAXVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-20(19(23)22-24,28(25,26)17-8-6-16(27-2)7-9-17)13-14-5-10-18-15(12-14)4-3-11-21-18/h3-12,24H,13H2,1-2H3,(H,22,23).
What are the key properties of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide has a molecular weight of 400.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide is sourced from PubChem (CID 10135613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).