N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C23H25N5O4S2 — CID 24643942

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c1
InChIInChI=1S/C23H25N5O4S2/c1-4-27(5-2)34(30,31)16-10-11-21(32-3)18(12-16)25-22(29)13-28-20-9-7-6-8-17(20)26-23(28)19-14-33-15-24-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,25,29)
InChIKeyUZDIORVGFPRTOF-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.84
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 24643942) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID24643942
Molecular FormulaC23H25N5O4S2
Molecular Weight499.62 g/mol
Exact Mass499.13
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c1
InChIInChI=1S/C23H25N5O4S2/c1-4-27(5-2)34(30,31)16-10-11-21(32-3)18(12-16)25-22(29)13-28-20-9-7-6-8-17(20)26-23(28)19-14-33-15-24-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,25,29)
InChIKeyUZDIORVGFPRTOF-UHFFFAOYSA-N
XLogP3.84
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143
4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide
CID 24514973
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 42983279
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-(3-propoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 38825215
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 4793905
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 25433418

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 24643942) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is UZDIORVGFPRTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c1-4-27(5-2)34(30,31)16-10-11-21(32-3)18(12-16)25-22(29)13-28-20-9-7-6-8-17(20)26-23(28)19-14-33-15-24-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,25,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 499.62 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 24643942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).