N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C21H25N3O5S — CID 25498558

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C21H25N3O5S/c1-3-23(4-2)30(28,29)15-11-12-19(25)17(14-15)22-21(27)16-8-5-6-9-18(16)24-13-7-10-20(24)26/h5-6,8-9,11-12,14,25H,3-4,7,10,13H2,1-2H3,(H,22,27)
InChIKeyJAYKUYADOMDNIT-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.80
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 25498558) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID25498558
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C21H25N3O5S/c1-3-23(4-2)30(28,29)15-11-12-19(25)17(14-15)22-21(27)16-8-5-6-9-18(16)24-13-7-10-20(24)26/h5-6,8-9,11-12,14,25H,3-4,7,10,13H2,1-2H3,(H,22,27)
InChIKeyJAYKUYADOMDNIT-UHFFFAOYSA-N
XLogP2.80
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 25498558) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2N2CCCC2=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is JAYKUYADOMDNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-3-23(4-2)30(28,29)15-11-12-19(25)17(14-15)22-21(27)16-8-5-6-9-18(16)24-13-7-10-20(24)26/h5-6,8-9,11-12,14,25H,3-4,7,10,13H2,1-2H3,(H,22,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 431.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 25498558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).