[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate

C22H18N6O5S — CID 25039785

IUPAC[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C22H18N6O5S/c29-19(14-33-21(30)16-4-2-15(3-5-16)20-23-12-13-24-20)27-17-6-8-18(9-7-17)34(31,32)28-22-25-10-1-11-26-22/h1-13H,14H2,(H,23,24)(H,27,29)(H,25,26,28)
InChIKeyGHDSBVNOBBKDFA-UHFFFAOYSA-N
MW478.49 g/mol
LogP2.46
Rot. Bonds8

About [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate

[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 25039785) has the molecular formula C22H18N6O5S and a molecular weight of 478.49 g/mol. Its IUPAC name is [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
PubChem CID25039785
Molecular FormulaC22H18N6O5S
Molecular Weight478.49 g/mol
Exact Mass478.11
IUPAC Name[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C22H18N6O5S/c29-19(14-33-21(30)16-4-2-15(3-5-16)20-23-12-13-24-20)27-17-6-8-18(9-7-17)34(31,32)28-22-25-10-1-11-26-22/h1-13H,14H2,(H,23,24)(H,27,29)(H,25,26,28)
InChIKeyGHDSBVNOBBKDFA-UHFFFAOYSA-N
XLogP2.46
TPSA156.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25036442
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 25039782
[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999278
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate
CID 25038462
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 25043323
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 25049245
methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
CID 23943561
[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23744377
[2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 25042215
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 25043320
[1-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 25037145

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate (CID 25039785) is [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate is O=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is GHDSBVNOBBKDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O5S/c29-19(14-33-21(30)16-4-2-15(3-5-16)20-23-12-13-24-20)27-17-6-8-18(9-7-17)34(31,32)28-22-25-10-1-11-26-22/h1-13H,14H2,(H,23,24)(H,27,29)(H,25,26,28).
What are the key properties of [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate?
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 478.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 25039785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).