2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide

C20H17N5O5S — CID 135718306

IUPAC2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2c(O)c(/C=C3\C=Nc4ccccc43)[nH]c2=O)cc1
InChIInChI=1S/C20H17N5O5S/c21-31(29,30)14-7-5-13(6-8-14)23-18(26)11-25-19(27)17(24-20(25)28)9-12-10-22-16-4-2-1-3-15(12)16/h1-10,27H,11H2,(H,23,26)(H,24,28)(H2,21,29,30)/b12-9+
InChIKeyHDTKVPXHGBDXLZ-FMIVXFBMSA-N
MW439.45 g/mol
LogP1.42
Rot. Bonds5

About 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 135718306) has the molecular formula C20H17N5O5S and a molecular weight of 439.45 g/mol. Its IUPAC name is 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID135718306
Molecular FormulaC20H17N5O5S
Molecular Weight439.45 g/mol
Exact Mass439.10
IUPAC Name2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2c(O)c(/C=C3\C=Nc4ccccc43)[nH]c2=O)cc1
InChIInChI=1S/C20H17N5O5S/c21-31(29,30)14-7-5-13(6-8-14)23-18(26)11-25-19(27)17(24-20(25)28)9-12-10-22-16-4-2-1-3-15(12)16/h1-10,27H,11H2,(H,23,26)(H,24,28)(H2,21,29,30)/b12-9+
InChIKeyHDTKVPXHGBDXLZ-FMIVXFBMSA-N
XLogP1.42
TPSA159.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 135718299
2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 137263335
3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-N-(4-sulfamoylphenyl)propanamide
CID 135732685
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4168442
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
CID 2937683
4-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-N-(4-nitrophenyl)butanamide
CID 135718225
N-(4-chlorophenyl)-3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanamide
CID 135732676
2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16632921
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
ethyl 4-[4-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoylamino]benzoate
CID 135718221
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide (CID 135718306) is 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cn2c(O)c(/C=C3\C=Nc4ccccc43)[nH]c2=O)cc1.
What is the InChIKey of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is HDTKVPXHGBDXLZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H17N5O5S/c21-31(29,30)14-7-5-13(6-8-14)23-18(26)11-25-19(27)17(24-20(25)28)9-12-10-22-16-4-2-1-3-15(12)16/h1-10,27H,11H2,(H,23,26)(H,24,28)(H2,21,29,30)/b12-9+.
What are the key properties of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 439.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 135718306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).