(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

C23H28N4O6S — CID 43026046

IUPAC(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCCCn1c(COC(=O)CNC(=O)c2ccccc2OCC)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H28N4O6S/c1-3-5-12-27-19-11-10-16(34(24,30)31)13-18(19)26-21(27)15-33-22(28)14-25-23(29)17-8-6-7-9-20(17)32-4-2/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,25,29)(H2,24,30,31)
InChIKeyLHERESZCJCYLIX-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.36
Rot. Bonds11

About (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 43026046) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID43026046
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC Name(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCCCn1c(COC(=O)CNC(=O)c2ccccc2OCC)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H28N4O6S/c1-3-5-12-27-19-11-10-16(34(24,30)31)13-18(19)26-21(27)15-33-22(28)14-25-23(29)17-8-6-7-9-20(17)32-4-2/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,25,29)(H2,24,30,31)
InChIKeyLHERESZCJCYLIX-UHFFFAOYSA-N
XLogP2.36
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate 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

(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32512230
2-[(2-bromophenoxy)methyl]-1-butylbenzimidazole-5-sulfonamide
CID 38895198
1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide
CID 4780765
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-hydroxy-3-methylbenzoate
CID 40709893
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(4-fluorophenyl)propanoate
CID 18225646
(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 46606135
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1H-indazole-3-carboxylate
CID 29351454
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate
CID 18123005
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-chloro-4-nitrobenzoate
CID 29349929
2-[(2-acetylphenoxy)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 112819009
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 42918344

Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 43026046) is (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCCCn1c(COC(=O)CNC(=O)c2ccccc2OCC)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is LHERESZCJCYLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-3-5-12-27-19-11-10-16(34(24,30)31)13-18(19)26-21(27)15-33-22(28)14-25-23(29)17-8-6-7-9-20(17)32-4-2/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,25,29)(H2,24,30,31).
What are the key properties of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 488.57 g/mol, XLogP of 2.36, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 43026046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).