4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide

C22H20N4O4S — CID 24981727

IUPAC4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H20N4O4S/c27-21(23-13-12-15-4-2-1-3-5-15)16-6-8-17(9-7-16)26-31(29,30)18-10-11-19-20(14-18)25-22(28)24-19/h1-11,14,26H,12-13H2,(H,23,27)(H2,24,25,28)
InChIKeyTXWXYPQMPAWFFE-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.63
Rot. Bonds7

About 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 24981727) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID24981727
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H20N4O4S/c27-21(23-13-12-15-4-2-1-3-5-15)16-6-8-17(9-7-16)26-31(29,30)18-10-11-19-20(14-18)25-22(28)24-19/h1-11,14,26H,12-13H2,(H,23,27)(H2,24,25,28)
InChIKeyTXWXYPQMPAWFFE-UHFFFAOYSA-N
XLogP2.63
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24687539
N-[(3-chlorophenyl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46532012
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 24983098
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 154835051
N-ethyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-phenylbenzamide
CID 46545903
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 24981727) is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is TXWXYPQMPAWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c27-21(23-13-12-15-4-2-1-3-5-15)16-6-8-17(9-7-16)26-31(29,30)18-10-11-19-20(14-18)25-22(28)24-19/h1-11,14,26H,12-13H2,(H,23,27)(H2,24,25,28).
What are the key properties of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 436.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 24981727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).