methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate

C23H20N4O6S — CID 24982113

IUPACmethyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C23H20N4O6S/c1-33-22(29)16-4-2-14(3-5-16)13-24-21(28)15-6-8-17(9-7-15)27-34(31,32)18-10-11-19-20(12-18)26-23(30)25-19/h2-12,27H,13H2,1H3,(H,24,28)(H2,25,26,30)
InChIKeyJGRJNGIJZBCVSH-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.37
Rot. Bonds7

About methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate

methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate (PubChem CID 24982113) has the molecular formula C23H20N4O6S and a molecular weight of 480.50 g/mol. Its IUPAC name is methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate
PubChem CID24982113
Molecular FormulaC23H20N4O6S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC Namemethyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C23H20N4O6S/c1-33-22(29)16-4-2-14(3-5-16)13-24-21(28)15-6-8-17(9-7-15)27-34(31,32)18-10-11-19-20(12-18)26-23(30)25-19/h2-12,27H,13H2,1H3,(H,24,28)(H2,25,26,30)
InChIKeyJGRJNGIJZBCVSH-UHFFFAOYSA-N
XLogP2.37
TPSA150.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

N-ethyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24670610
ethyl 4-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoate
CID 2210444
ethyl 4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoate
CID 7454642
(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl 4-(benzylcarbamoylamino)benzoate
CID 10624038
(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl 4-[(phenylcarbamoylamino)methyl]benzoate
CID 10647871
Methyl 2-[[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]phenyl]carbonylamino]-3-phenyl-propanoate
CID 16298180
N-(4-methylcyclohexyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 17571225
N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24677541
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide
CID 24683589
N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24687441
N-[2-(dimethylamino)-2-phenylethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24981167
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24982654

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate (CID 24982113) is methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1.
What is the InChIKey of methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate?
The InChIKey is JGRJNGIJZBCVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6S/c1-33-22(29)16-4-2-14(3-5-16)13-24-21(28)15-6-8-17(9-7-15)27-34(31,32)18-10-11-19-20(12-18)26-23(30)25-19/h2-12,27H,13H2,1H3,(H,24,28)(H2,25,26,30).
What are the key properties of methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate?
methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate has a molecular weight of 480.50 g/mol, XLogP of 2.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 24982113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).