3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide

C20H21F3N4O3S2 — CID 53064167

IUPAC3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCn2c(C(F)(F)F)nc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C20H21F3N4O3S2/c1-26(2)32(29,30)15-7-8-17-16(12-15)25-19(20(21,22)23)27(17)10-9-18(28)24-13-5-4-6-14(11-13)31-3/h4-8,11-12H,9-10H2,1-3H3,(H,24,28)
InChIKeyHYFKYWAGFSUCHX-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.06
Rot. Bonds7

About 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide

3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 53064167) has the molecular formula C20H21F3N4O3S2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID53064167
Molecular FormulaC20H21F3N4O3S2
Molecular Weight486.54 g/mol
Exact Mass486.10
IUPAC Name3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCn2c(C(F)(F)F)nc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C20H21F3N4O3S2/c1-26(2)32(29,30)15-7-8-17-16(12-15)25-19(20(21,22)23)27(17)10-9-18(28)24-13-5-4-6-14(11-13)31-3/h4-8,11-12H,9-10H2,1-3H3,(H,24,28)
InChIKeyHYFKYWAGFSUCHX-UHFFFAOYSA-N
XLogP4.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide (CID 53064167) is 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCn2c(C(F)(F)F)nc3cc(S(=O)(=O)N(C)C)ccc32)c1.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is HYFKYWAGFSUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3S2/c1-26(2)32(29,30)15-7-8-17-16(12-15)25-19(20(21,22)23)27(17)10-9-18(28)24-13-5-4-6-14(11-13)31-3/h4-8,11-12H,9-10H2,1-3H3,(H,24,28).
What are the key properties of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide?
3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 486.54 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 53064167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).