2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide

C25H24FN3O5S — CID 50824264

IUPAC2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc3c(cc2S(=O)(=O)c2ccc(F)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H24FN3O5S/c1-4-16-5-9-18(10-6-16)34-15-24(30)27-20-13-21-22(29(3)25(31)28(21)2)14-23(20)35(32,33)19-11-7-17(26)8-12-19/h5-14H,4,15H2,1-3H3,(H,27,30)
InChIKeyDGGBGROQAIKRLO-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.43
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide

2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide (PubChem CID 50824264) has the molecular formula C25H24FN3O5S and a molecular weight of 497.55 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
PubChem CID50824264
Molecular FormulaC25H24FN3O5S
Molecular Weight497.55 g/mol
Exact Mass497.14
IUPAC Name2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc3c(cc2S(=O)(=O)c2ccc(F)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H24FN3O5S/c1-4-16-5-9-18(10-6-16)34-15-24(30)27-20-13-21-22(29(3)25(31)28(21)2)14-23(20)35(32,33)19-11-7-17(26)8-12-19/h5-14H,4,15H2,1-3H3,(H,27,30)
InChIKeyDGGBGROQAIKRLO-UHFFFAOYSA-N
XLogP3.43
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-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-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
CID 50824169
N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 50824237
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
N-(2,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 45375671

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide (CID 50824264) is 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide is CCc1ccc(OCC(=O)Nc2cc3c(cc2S(=O)(=O)c2ccc(F)cc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The InChIKey is DGGBGROQAIKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5S/c1-4-16-5-9-18(10-6-16)34-15-24(30)27-20-13-21-22(29(3)25(31)28(21)2)14-23(20)35(32,33)19-11-7-17(26)8-12-19/h5-14H,4,15H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide has a molecular weight of 497.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide is sourced from PubChem (CID 50824264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).