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

C20H21F3N4O4S — CID 53005762

IUPAC3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1c(C(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H21F3N4O4S/c1-26(2)32(29,30)13-8-9-16-15(12-13)25-19(20(21,22)23)27(16)11-10-18(28)24-14-6-4-5-7-17(14)31-3/h4-9,12H,10-11H2,1-3H3,(H,24,28)
InChIKeyROOLFIHUSXQPCI-UHFFFAOYSA-N
MW470.47 g/mol
LogP3.34
Rot. Bonds7

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

3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 53005762) has the molecular formula C20H21F3N4O4S and a molecular weight of 470.47 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID53005762
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1c(C(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H21F3N4O4S/c1-26(2)32(29,30)13-8-9-16-15(12-13)25-19(20(21,22)23)27(16)11-10-18(28)24-14-6-4-5-7-17(14)31-3/h4-9,12H,10-11H2,1-3H3,(H,24,28)
InChIKeyROOLFIHUSXQPCI-UHFFFAOYSA-N
XLogP3.34
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide (CID 53005762) is 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCn1c(C(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is ROOLFIHUSXQPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4S/c1-26(2)32(29,30)13-8-9-16-15(12-13)25-19(20(21,22)23)27(16)11-10-18(28)24-14-6-4-5-7-17(14)31-3/h4-9,12H,10-11H2,1-3H3,(H,24,28).
What are the key properties of 3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide?
3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 470.47 g/mol, XLogP of 3.34, 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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 53005762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).