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

C23H22N4O6S — CID 46673539

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
InChIInChI=1S/C23H22N4O6S/c1-32-15-8-7-14(21(11-15)33-2)13-24-22(28)17-5-3-4-6-18(17)27-34(30,31)16-9-10-19-20(12-16)26-23(29)25-19/h3-12,27H,13H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyNAQWBBKFWVVLHH-UHFFFAOYSA-N
MW482.52 g/mol
LogP2.60
Rot. Bonds8

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

N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 46673539) has the molecular formula C23H22N4O6S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID46673539
Molecular FormulaC23H22N4O6S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
InChIInChI=1S/C23H22N4O6S/c1-32-15-8-7-14(21(11-15)33-2)13-24-22(28)17-5-3-4-6-18(17)27-34(30,31)16-9-10-19-20(12-16)26-23(29)25-19/h3-12,27H,13H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyNAQWBBKFWVVLHH-UHFFFAOYSA-N
XLogP2.60
TPSA142.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586552
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 26549583
N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 26549596
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657099
N-[3-[benzyl(methyl)amino]propyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 29239385
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46537671
2-(2,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 17457100

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 46673539) is N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is COc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is NAQWBBKFWVVLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6S/c1-32-15-8-7-14(21(11-15)33-2)13-24-22(28)17-5-3-4-6-18(17)27-34(30,31)16-9-10-19-20(12-16)26-23(29)25-19/h3-12,27H,13H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 482.52 g/mol, XLogP of 2.60, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 46673539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).