N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide

C26H34N4O6S — CID 11478105

IUPACN-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
SMILESCOC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3O)ccc2n1CC1CCOCC1
InChIInChI=1S/C26H34N4O6S/c1-17(31)27-19-6-9-24(23(32)14-19)37(33,34)29(4)20-7-8-22-21(15-20)28-25(26(2,3)35-5)30(22)16-18-10-12-36-13-11-18/h6-9,14-15,18,32H,10-13,16H2,1-5H3,(H,27,31)
InChIKeyFZTFFMYBACAWII-UHFFFAOYSA-N
MW530.65 g/mol
LogP3.83
Rot. Bonds8

About N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide

N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide (PubChem CID 11478105) has the molecular formula C26H34N4O6S and a molecular weight of 530.65 g/mol. Its IUPAC name is N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
PubChem CID11478105
Molecular FormulaC26H34N4O6S
Molecular Weight530.65 g/mol
Exact Mass530.22
IUPAC NameN-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
SMILESCOC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3O)ccc2n1CC1CCOCC1
InChIInChI=1S/C26H34N4O6S/c1-17(31)27-19-6-9-24(23(32)14-19)37(33,34)29(4)20-7-8-22-21(15-20)28-25(26(2,3)35-5)30(22)16-18-10-12-36-13-11-18/h6-9,14-15,18,32H,10-13,16H2,1-5H3,(H,27,31)
InChIKeyFZTFFMYBACAWII-UHFFFAOYSA-N
XLogP3.83
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
CID 163690323
4-amino-N-[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 58836953
[2-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]urea
CID 90921357
N-[4-[[2-(2-ethoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylamino]sulfanylphenyl]acetamide
CID 143022243
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11282152
N-[4-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]amino]sulfanylphenyl]acetamide
CID 143021897
N-[2-(1,1-difluoroethyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11385374
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-ethyl-2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-amine;N-ethyl-N-[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-4-nitrobenzenesulfonamide
CID 159508593
N-[4-[1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 90732105
3-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[3-[[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
CID 159700775
1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidine-3-carboxylic acid
CID 91460805

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide (CID 11478105) is N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide is COC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3O)ccc2n1CC1CCOCC1.
What is the InChIKey of N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
The InChIKey is FZTFFMYBACAWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6S/c1-17(31)27-19-6-9-24(23(32)14-19)37(33,34)29(4)20-7-8-22-21(15-20)28-25(26(2,3)35-5)30(22)16-18-10-12-36-13-11-18/h6-9,14-15,18,32H,10-13,16H2,1-5H3,(H,27,31).
What are the key properties of N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide has a molecular weight of 530.65 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 11478105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).