5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

C24H24N4O5S — CID 55867079

IUPAC5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3ccc4[nH]c(=O)[nH]c4c3)c2)cc1
InChIInChI=1S/C24H24N4O5S/c1-14-4-10-19(34(31,32)28-17-6-8-18(33-3)9-7-17)13-20(14)23(29)25-15(2)16-5-11-21-22(12-16)27-24(30)26-21/h4-13,15,28H,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyXFERASVEBCPLDB-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.47
Rot. Bonds7

About 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (PubChem CID 55867079) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
PubChem CID55867079
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3ccc4[nH]c(=O)[nH]c4c3)c2)cc1
InChIInChI=1S/C24H24N4O5S/c1-14-4-10-19(34(31,32)28-17-6-8-18(33-3)9-7-17)13-20(14)23(29)25-15(2)16-5-11-21-22(12-16)27-24(30)26-21/h4-13,15,28H,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyXFERASVEBCPLDB-UHFFFAOYSA-N
XLogP3.47
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657800
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
N-[1-(3,4-difluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43010637
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24687539
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55501117
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281847
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (CID 55867079) is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3ccc4[nH]c(=O)[nH]c4c3)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The InChIKey is XFERASVEBCPLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-14-4-10-19(34(31,32)28-17-6-8-18(33-3)9-7-17)13-20(14)23(29)25-15(2)16-5-11-21-22(12-16)27-24(30)26-21/h4-13,15,28H,1-3H3,(H,25,29)(H2,26,27,30).
What are the key properties of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide has a molecular weight of 480.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 55867079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).