5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid

C19H18N4O5S — CID 22776249

IUPAC5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C19H18N4O5S/c24-18(6-3-7-19(25)26)21-13-8-10-14(11-9-13)29(27,28)23-17-12-20-15-4-1-2-5-16(15)22-17/h1-2,4-5,8-12H,3,6-7H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyRYPXYVPEEDMJLF-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.62
Rot. Bonds8

About 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid

5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid (PubChem CID 22776249) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid
PubChem CID22776249
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C19H18N4O5S/c24-18(6-3-7-19(25)26)21-13-8-10-14(11-9-13)29(27,28)23-17-12-20-15-4-1-2-5-16(15)22-17/h1-2,4-5,8-12H,3,6-7H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyRYPXYVPEEDMJLF-UHFFFAOYSA-N
XLogP2.62
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2933220
1-ethyl-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea
CID 25039561
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
CID 2355217
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
3-nitro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
CID 17385385
4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 53382181
3,4,5-trimethoxy-N-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 2396638

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid (CID 22776249) is 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1.
What is the InChIKey of 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid?
The InChIKey is RYPXYVPEEDMJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c24-18(6-3-7-19(25)26)21-13-8-10-14(11-9-13)29(27,28)23-17-12-20-15-4-1-2-5-16(15)22-17/h1-2,4-5,8-12H,3,6-7H2,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid?
5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid has a molecular weight of 414.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid is sourced from PubChem (CID 22776249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).