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

C23H22N4O5S — CID 24687539

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C23H22N4O5S/c1-32-18-8-2-15(3-9-18)12-13-24-22(28)16-4-6-17(7-5-16)27-33(30,31)19-10-11-20-21(14-19)26-23(29)25-20/h2-11,14,27H,12-13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyGMPFAPQCBRGYKH-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.64
Rot. Bonds8

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

N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 24687539) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID24687539
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C23H22N4O5S/c1-32-18-8-2-15(3-9-18)12-13-24-22(28)16-4-6-17(7-5-16)27-33(30,31)19-10-11-20-21(14-19)26-23(29)25-20/h2-11,14,27H,12-13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyGMPFAPQCBRGYKH-UHFFFAOYSA-N
XLogP2.64
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 24983098
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24982654
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 154835051
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-[(3-chlorophenyl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46532012
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 24687539) is N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is GMPFAPQCBRGYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-32-18-8-2-15(3-9-18)12-13-24-22(28)16-4-6-17(7-5-16)27-33(30,31)19-10-11-20-21(14-19)26-23(29)25-20/h2-11,14,27H,12-13H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 466.52 g/mol, XLogP of 2.64, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 24687539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).