2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide

C23H25F3N4O5S — CID 91366424

IUPAC2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCc1c(NS(=O)(=O)c2ccc(NC(=O)CO)cc2)ccc2c1nc(C(F)(F)F)n2CC1CCOCC1
InChIInChI=1S/C23H25F3N4O5S/c1-14-18(29-36(33,34)17-4-2-16(3-5-17)27-20(32)13-31)6-7-19-21(14)28-22(23(24,25)26)30(19)12-15-8-10-35-11-9-15/h2-7,15,29,31H,8-13H2,1H3,(H,27,32)
InChIKeyRCUPTKFONCNONG-UHFFFAOYSA-N
MW526.54 g/mol
LogP3.52
Rot. Bonds7

About 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide

2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide (PubChem CID 91366424) has the molecular formula C23H25F3N4O5S and a molecular weight of 526.54 g/mol. Its IUPAC name is 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide
PubChem CID91366424
Molecular FormulaC23H25F3N4O5S
Molecular Weight526.54 g/mol
Exact Mass526.15
IUPAC Name2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCc1c(NS(=O)(=O)c2ccc(NC(=O)CO)cc2)ccc2c1nc(C(F)(F)F)n2CC1CCOCC1
InChIInChI=1S/C23H25F3N4O5S/c1-14-18(29-36(33,34)17-4-2-16(3-5-17)27-20(32)13-31)6-7-19-21(14)28-22(23(24,25)26)30(19)12-15-8-10-35-11-9-15/h2-7,15,29,31H,8-13H2,1H3,(H,27,32)
InChIKeyRCUPTKFONCNONG-UHFFFAOYSA-N
XLogP3.52
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.54
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-N-[1-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]piperidin-4-yl]propanamide
CID 11526939
N-[4-[1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 90732105
[2-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]urea
CID 90921357
4-amino-N-[2-(1,1-difluoroethyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[4-[[2-(1,1-difluoroethyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]-3-methylbutanamide
CID 157189595
N-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine;N-methyl-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetamide
CID 159468711
2-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]amino]oxy-2-oxoethanesulfonic acid
CID 150951193
4-[4-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-ethylsulfamoyl]anilino]-4-oxobutanoic acid
CID 69261442
2-cyclopentyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 2428955
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90622431
N-[4-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylamino]sulfanylphenyl]butanamide
CID 143203948
N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
CID 163690323

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide (CID 91366424) is 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide is Cc1c(NS(=O)(=O)c2ccc(NC(=O)CO)cc2)ccc2c1nc(C(F)(F)F)n2CC1CCOCC1.
What is the InChIKey of 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is RCUPTKFONCNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O5S/c1-14-18(29-36(33,34)17-4-2-16(3-5-17)27-20(32)13-31)6-7-19-21(14)28-22(23(24,25)26)30(19)12-15-8-10-35-11-9-15/h2-7,15,29,31H,8-13H2,1H3,(H,27,32).
What are the key properties of 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide?
2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 526.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 91366424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).