2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide

C17H20N2O5S — CID 15296597

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
InChIKeyJRCGNOYYZQLNTH-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.78
Rot. Bonds7

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 15296597) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID15296597
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
InChIKeyJRCGNOYYZQLNTH-UHFFFAOYSA-N
XLogP1.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide (CID 15296597) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is JRCGNOYYZQLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 364.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 15296597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).