N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide

C24H29N5O5S — CID 4969702

IUPACN-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide
SMILESCOCCNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29N5O5S/c1-34-15-12-25-23(30)16-22-27-20-6-2-3-7-21(20)29(22)17-24(31)26-18-8-10-19(11-9-18)35(32,33)28-13-4-5-14-28/h2-3,6-11H,4-5,12-17H2,1H3,(H,25,30)(H,26,31)
InChIKeyRBNJKFGPHZBDSD-UHFFFAOYSA-N
MW499.59 g/mol
LogP1.76
Rot. Bonds10

About N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide

N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide (PubChem CID 4969702) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide
PubChem CID4969702
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide
SMILESCOCCNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29N5O5S/c1-34-15-12-25-23(30)16-22-27-20-6-2-3-7-21(20)29(22)17-24(31)26-18-8-10-19(11-9-18)35(32,33)28-13-4-5-14-28/h2-3,6-11H,4-5,12-17H2,1H3,(H,25,30)(H,26,31)
InChIKeyRBNJKFGPHZBDSD-UHFFFAOYSA-N
XLogP1.76
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]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-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3642390
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 42810164
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4843555
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide (CID 4969702) is N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide is COCCNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide?
The InChIKey is RBNJKFGPHZBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-34-15-12-25-23(30)16-22-27-20-6-2-3-7-21(20)29(22)17-24(31)26-18-8-10-19(11-9-18)35(32,33)28-13-4-5-14-28/h2-3,6-11H,4-5,12-17H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide?
N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide has a molecular weight of 499.59 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 4969702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).