[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

C27H21N5O5S — CID 25043323

IUPAC[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C27H21N5O5S/c33-25(29-20-10-12-21(13-11-20)38(35,36)32-24-8-4-5-15-28-24)17-37-27(34)19-9-14-22-23(16-19)31-26(30-22)18-6-2-1-3-7-18/h1-16H,17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyWEVCXEXKYOZEJF-UHFFFAOYSA-N
MW527.56 g/mol
LogP4.22
Rot. Bonds8

About [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate (PubChem CID 25043323) has the molecular formula C27H21N5O5S and a molecular weight of 527.56 g/mol. Its IUPAC name is [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
PubChem CID25043323
Molecular FormulaC27H21N5O5S
Molecular Weight527.56 g/mol
Exact Mass527.13
IUPAC Name[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C27H21N5O5S/c33-25(29-20-10-12-21(13-11-20)38(35,36)32-24-8-4-5-15-28-24)17-37-27(34)19-9-14-22-23(16-19)31-26(30-22)18-6-2-1-3-7-18/h1-16H,17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyWEVCXEXKYOZEJF-UHFFFAOYSA-N
XLogP4.22
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.56
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 25049245
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 25039782
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802651
[2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 25042215
[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23859790
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300
[2-oxo-2-(pyridin-4-ylamino)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744366
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25039785
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 23831376
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23915586
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943546
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate (CID 25043323) is [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate is O=C(COC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The InChIKey is WEVCXEXKYOZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O5S/c33-25(29-20-10-12-21(13-11-20)38(35,36)32-24-8-4-5-15-28-24)17-37-27(34)19-9-14-22-23(16-19)31-26(30-22)18-6-2-1-3-7-18/h1-16H,17H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate has a molecular weight of 527.56 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 25043323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).