N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide

C19H19N3O5S — CID 22907131

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H19N3O5S/c1-27-16-8-10-17(11-9-16)28(25,26)22(13-19(23)21-24)12-15-7-6-14-4-2-3-5-18(14)20-15/h2-11,24H,12-13H2,1H3,(H,21,23)
InChIKeyVFQQYQDWXYLYBQ-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.94
Rot. Bonds7

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide (PubChem CID 22907131) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide
PubChem CID22907131
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H19N3O5S/c1-27-16-8-10-17(11-9-16)28(25,26)22(13-19(23)21-24)12-15-7-6-14-4-2-3-5-18(14)20-15/h2-11,24H,12-13H2,1H3,(H,21,23)
InChIKeyVFQQYQDWXYLYBQ-UHFFFAOYSA-N
XLogP1.94
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
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-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide (CID 22907131) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide?
The InChIKey is VFQQYQDWXYLYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-27-16-8-10-17(11-9-16)28(25,26)22(13-19(23)21-24)12-15-7-6-14-4-2-3-5-18(14)20-15/h2-11,24H,12-13H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetamide has a molecular weight of 401.44 g/mol, XLogP of 1.94, 7 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-(quinolin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 22907131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).