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

C27H36N4O5S — CID 163690323

IUPACN-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
SMILESCOC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2n1CCC1CCOCC1
InChIInChI=1S/C27H36N4O5S/c1-19(32)28-21-6-9-23(10-7-21)37(33,34)30(4)22-8-11-25-24(18-22)29-26(27(2,3)35-5)31(25)15-12-20-13-16-36-17-14-20/h6-11,18,20H,12-17H2,1-5H3,(H,28,32)
InChIKeyJSKULTHVUGCQSD-UHFFFAOYSA-N
MW528.68 g/mol
LogP4.52
Rot. Bonds9

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

N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide (PubChem CID 163690323) has the molecular formula C27H36N4O5S and a molecular weight of 528.68 g/mol. Its IUPAC name is N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
PubChem CID163690323
Molecular FormulaC27H36N4O5S
Molecular Weight528.68 g/mol
Exact Mass528.24
IUPAC NameN-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
SMILESCOC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2n1CCC1CCOCC1
InChIInChI=1S/C27H36N4O5S/c1-19(32)28-21-6-9-23(10-7-21)37(33,34)30(4)22-8-11-25-24(18-22)29-26(27(2,3)35-5)31(25)15-12-20-13-16-36-17-14-20/h6-11,18,20H,12-17H2,1-5H3,(H,28,32)
InChIKeyJSKULTHVUGCQSD-UHFFFAOYSA-N
XLogP4.52
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.68
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-hydroxy-4-[[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
CID 11478105
4-amino-N-[2-(2-methoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 58836953
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-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11282152
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-methyl-4-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
CID 11577453
N-[2-(1,1-difluoroethyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11385374
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
4-[4-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-ethylsulfamoyl]anilino]-4-oxobutanoic acid
CID 69261442
N-[4-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]amino]sulfanylphenyl]acetamide
CID 143021897
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide (CID 163690323) is N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide is COC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2n1CCC1CCOCC1.
What is the InChIKey of N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
The InChIKey is JSKULTHVUGCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5S/c1-19(32)28-21-6-9-23(10-7-21)37(33,34)30(4)22-8-11-25-24(18-22)29-26(27(2,3)35-5)31(25)15-12-20-13-16-36-17-14-20/h6-11,18,20H,12-17H2,1-5H3,(H,28,32).
What are the key properties of N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide?
N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide has a molecular weight of 528.68 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methoxypropan-2-yl)-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 163690323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).