3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide

C23H27F3N4O3S — CID 46320673

IUPAC3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C23H27F3N4O3S/c1-5-29(6-2)34(32,33)17-9-10-20-19(14-17)28-22(23(24,25)26)30(20)12-11-21(31)27-18-13-15(3)7-8-16(18)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,27,31)
InChIKeyLNQNNGLZVITANE-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.73
Rot. Bonds8

About 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide

3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 46320673) has the molecular formula C23H27F3N4O3S and a molecular weight of 496.56 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
PubChem CID46320673
Molecular FormulaC23H27F3N4O3S
Molecular Weight496.56 g/mol
Exact Mass496.18
IUPAC Name3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C23H27F3N4O3S/c1-5-29(6-2)34(32,33)17-9-10-20-19(14-17)28-22(23(24,25)26)30(20)12-11-21(31)27-18-13-15(3)7-8-16(18)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,27,31)
InChIKeyLNQNNGLZVITANE-UHFFFAOYSA-N
XLogP4.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide 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

3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95067154
3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 53064167
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7929037
N-(2,5-dimethylphenyl)-2-[2-(trifluoromethyl)-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl]acetamide
CID 18525483
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60575015

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide (CID 46320673) is 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is LNQNNGLZVITANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3S/c1-5-29(6-2)34(32,33)17-9-10-20-19(14-17)28-22(23(24,25)26)30(20)12-11-21(31)27-18-13-15(3)7-8-16(18)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,27,31).
What are the key properties of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide?
3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 496.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 46320673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).